Trans-Cinnamic Acid (C9H8O2)

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BMRB entry bmse000124

Entry DOI: doi:10.13018/BMSE000124
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse000124.str

NMR-STAR

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Structure file (mol/sdf):

bmse000124.mol

All files for

bmse000124

Time Domain Data:

bmse000124.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 ID	Author Nomenclature	Value	Ambiguity Code
C1	C1	131.689	1
C2	C4	132.333	3
C3	C5	132.333	3
C4	C2	130.414	3
C5	C3	130.414	3
C6	C6	143.553	1
C7	C7	126.83	1
C8	C8	137.876	1
C9	C9	178.502	1
H12	H12	7.404	4
H13	H13	7.404	4
H14	H14	7.404	4
H15	H15	7.61	3
H16	H16	7.61	3
H17	H17	7.404	4
H18	H18	6.507	1

NMR experiments

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

Download time domain data: bmse000124_1.zip

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

Spectrum for experiment #2: 2D [1H,1H]-TOCSY

Download time domain data: bmse000124_2.zip

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

Download time domain data: bmse000124_3.zip

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

Download time domain data: bmse000124_4.zip

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

Download time domain data: bmse000124_5.zip

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

Spectrum for experiment #6: 2D [1H,13C]-HSQC

Download time domain data: bmse000124_6.zip