Undecanedioic Acid (C11H20O4)

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BMRB entry bmse000847

Entry DOI: doi:10.13018/BMSE000847
Data source: National Magnetic Facility at Madison - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse000847.str

NMR-STAR

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Structure file (mol/sdf):

bmse000847.mol

All files for

bmse000847

Time Domain Data:

bmse000847.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: 100mM in methanol, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Atom IDAuthor NomenclatureValueAmbiguity Code
C1C530.4744
C1C530.3944
C1C530.2374
C2C630.4744
C2C630.3944
C2C630.2374
C3C730.4744
C3C730.3944
C3C730.2374
C4C830.4744
C4C830.3944
C4C830.2374
C5C930.4744
C5C930.3944
C5C930.2374
C6C1026.1111
C7C1126.1111
C8C1234.9601
C9C1334.9601
C10C14177.7591
C11C15177.7591
H16H161.3234
H17H171.3234
H18H181.3234
H19H191.3234
H20H201.3234
H21H211.3234
H24H221.3234
H25H231.3234
H22H241.3234
H23H251.3234
H28H261.5921
H29H271.5921
H26H281.5921
H27H291.5921
H30H302.2731
H31H312.2731
H32H322.2731
H33H332.2731

NMR experiments

1: 1D 1H
Sample: 100mM in methanol, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 1
Download time domain data: bmse000847_1.zip

2: 2D [1H,1H]-TOCSY
Sample: 100mM in methanol, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 2
Download time domain data: bmse000847_2.zip

3: 1D 13C
Sample: 100mM in methanol, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 3
Download time domain data: bmse000847_3.zip

4: 1D DEPT90
Sample: 100mM in methanol, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Download time domain data: bmse000847_4.zip

5: 1D DEPT135
Sample: 100mM in methanol, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 5
Download time domain data: bmse000847_5.zip

6: 2D [1H,13C]-HSQC
Sample: 100mM in methanol, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 6
Download time domain data: bmse000847_6.zip

7: 2D [1H,13C]-HMBC
Sample: 100mM in methanol, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 7
Download time domain data: bmse000847_7.zip

8: 2D [1H,1H]-COSY
Sample: 100mM in methanol, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 8
Download time domain data: bmse000847_8.zip