1_naphthalenemethanol (C11H10O)

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BMRB entry bmse000690

Entry DOI: doi:10.13018/BMSE000690
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley, Ravi Rapolu

NMR-STAR file:

bmse000690.str

NMR-STAR

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Structure file (mol/sdf):

bmse000690.mol

All files for

bmse000690

Time Domain Data:

bmse000690.zip

View the GISSMO record for this entry.

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: Saturated1 in ethanol, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Atom IDAuthor NomenclatureValueAmbiguity Code
C11C2132.2411
C10C3137.6831
C9C4134.7521
C6C5129.1834
C6C5128.5904
C6C5126.5584
C6C5126.2124
C6C5125.9704
C6C5125.4794
C6C5124.3284
C7C6129.1834
C7C6128.5904
C7C6126.5584
C7C6126.2124
C7C6125.9704
C7C6125.4794
C7C6124.3284
C5C7129.1834
C5C7128.5904
C5C7126.5584
C5C7126.2124
C5C7125.9704
C5C7125.4794
C5C7124.3284
C8C881
C4C9129.1834
C4C9128.5904
C4C9126.5584
C4C9126.2124
C4C9125.9704
C4C9125.4794
C4C9124.3284
C3C10129.1834
C3C10128.5904
C3C10126.5584
C3C10126.2124
C3C10125.9704
C3C10125.4794
C3C10124.3284
C2C11129.1834
C2C11128.5904
C2C11126.5584
C2C11126.2124
C2C11125.9704
C2C11125.4794
C2C11124.3284
C1C12129.1834
C1C12128.5904
C1C12126.5584
C1C12126.2124
C1C12125.9704
C1C12125.4794
C1C12124.3284
H18H138.0834
H18H137.8374
H18H137.7554
H18H137.5414
H18H137.4404
H19H148.0834
H19H147.8374
H19H147.7554
H19H147.5414
H19H147.4404
H17H158.0834
H17H157.8374
H17H157.7554
H17H157.5414
H17H157.4404
H20H16161
H20H16171
H21H17161
H21H17171
H16H188.0834
H16H187.8374
H16H187.7554
H16H187.5414
H16H187.4404
H15H198.0834
H15H197.8374
H15H197.7554
H15H197.5414
H15H197.4404
H14H208.0834
H14H207.8374
H14H207.7554
H14H207.5414
H14H207.4404
H13H218.0834
H13H217.8374
H13H217.7554
H13H217.5414
H13H217.4404

NMR experiments

1: 1D 1H
Sample: Saturated1 in ethanol, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 1
Download time domain data: bmse000690_1.zip

2: 2D [1H,1H]-TOCSY
Sample: Saturated1 in ethanol, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 2
Download time domain data: bmse000690_2.zip

3: 1D 13C
Sample: Saturated1 in ethanol, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 3
Download time domain data: bmse000690_3.zip

4: 1D DEPT90
Sample: Saturated1 in ethanol, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 4
Download time domain data: bmse000690_4.zip

5: 1D DEPT135
Sample: Saturated1 in ethanol, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 5
Download time domain data: bmse000690_5.zip

6: 2D [1H,13C]-HSQC
Sample: Saturated1 in ethanol, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 6
Download time domain data: bmse000690_6.zip

7: 2D [1H,13C]-HMBC
Sample: Saturated1 in ethanol, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 7
Download time domain data: bmse000690_7.zip

8: 2D [1H,1H]-COSY
Sample: Saturated1 in ethanol, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 8
Download time domain data: bmse000690_8.zip