Alpha-Naphthoic Acid (C11H8O2)

View large 3D structure

BMRB entry bmse000178

Entry DOI: doi:10.13018/BMSE000178
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse000178.str

NMR-STAR

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Structure file (mol/sdf):

bmse000178.mol

All files for

bmse000178

Time Domain Data:

bmse000178.zip

View the GISSMO record for this entry.

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Atom IDAuthor NomenclatureValueAmbiguity Code
C1C2131.5784
C1C2130.9664
C1C2129.4474
C1C2128.9284
C1C2128.3014
C1C2128.1264
C1C2126.9184
C2C3131.5784
C2C3130.9664
C2C3129.4474
C2C3128.9284
C2C3128.3014
C2C3128.1264
C2C3126.9184
C3C4131.5784
C3C4130.9664
C3C4129.4474
C3C4128.9284
C3C4128.3014
C3C4128.1264
C3C4126.9184
C4C5131.5784
C4C5130.9664
C4C5129.4474
C4C5128.9284
C4C5128.3014
C4C5128.1264
C4C5126.9184
C6C6131.5784
C6C6130.9664
C6C6129.4474
C6C6128.9284
C6C6128.3014
C6C6128.1264
C6C6126.9184
C5C7131.5784
C5C7130.9664
C5C7129.4474
C5C7128.9284
C5C7128.3014
C5C7128.1264
C5C7126.9184
C7C8131.5784
C7C8130.9664
C7C8129.4474
C7C8128.9284
C7C8128.3014
C7C8128.1264
C7C8126.9184
C8C9140.3164
C8C9136.0024
C8C9131.8384
C9C10140.3164
C9C10136.0024
C9C10131.8384
C10C11140.3164
C10C11136.0024
C10C11131.8384
C11C12180.9531
H14H158.2144
H14H157.9524
H14H157.5674
H15H168.2144
H15H167.9524
H15H167.5674
H16H178.2144
H16H177.9524
H16H177.5674
H17H188.2144
H17H187.9524
H17H187.5674
H19H198.2144
H19H197.9524
H19H197.5674
H18H208.2144
H18H207.9524
H18H207.5674
H20H218.2144
H20H217.9524
H20H217.5674

NMR experiments

1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Array spectrum for 1
Download time domain data: bmse000178_1.zip

2: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Array spectrum for 2
Download time domain data: bmse000178_2.zip

3: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Array spectrum for 3
Download time domain data: bmse000178_3.zip

4: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Array spectrum for 4
Download time domain data: bmse000178_4.zip

5: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Array spectrum for 5
Download time domain data: bmse000178_5.zip

6: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Array spectrum for 6
Download time domain data: bmse000178_6.zip