Bis(2-butoxyethyl)phthalate (C20H30O6)

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BMRB entry bmse000734

Entry DOI: doi:10.13018/BMSE000734
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley, Ravi Rapolu

NMR-STAR file:

bmse000734.str

NMR-STAR

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Structure file (mol/sdf):

bmse000734.mol

All files for

bmse000734

Time Domain Data:

bmse000734.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 acetone, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Atom IDAuthor NomenclatureValueAmbiguity Code
C5C732.5331
C6C832.5331
C3C919.9331
C4C1019.9331
C11C1171.3621
C12C1271.3621
C13C1369.0141
C14C1469.0141
C1C1514.1761
C2C1614.1761
C15C1765.5521
C16C1865.5521
C17C19133.2271
C18C20133.2271
C19C21167.8731
C20C22167.8731
C9C23129.7061
C10C24129.7061
C7C25132.1131
C8C26132.1131
H37H271.531
H38H281.531
H39H291.531
H40H301.531
H33H311.3641
H34H321.3641
H35H331.3641
H36H341.3641
H45H353.4741
H46H363.4741
H47H373.4741
H48H383.4741
H49H393.7141
H50H403.7141
H51H413.7141
H52H423.7141
H29H430.8911
H27H440.8911
H28H450.8911
H32H460.8911
H30H470.8911
H31H480.8911
H53H494.411
H54H504.411
H55H514.411
H56H524.411
H43H537.7681
H44H547.7681
H41H557.6711
H42H567.6711

NMR experiments

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

Array spectrum for 1
Download time domain data: bmse000734_1.zip

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

Array spectrum for 2
Download time domain data: bmse000734_2.zip

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

Array spectrum for 3
Download time domain data: bmse000734_3.zip

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

Array spectrum for 4
Download time domain data: bmse000734_4.zip

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

Array spectrum for 5
Download time domain data: bmse000734_5.zip

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

Array spectrum for 6
Download time domain data: bmse000734_6.zip

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

Array spectrum for 7
Download time domain data: bmse000734_7.zip

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

Array spectrum for 8
Download time domain data: bmse000734_8.zip