6-Hydroxyflavanone (C15H12O3)

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BMRB entry bmse000985

Entry DOI: doi:10.13018/BMSE000985
Data source: National Magnetic Facility at Madison - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse000985.str

NMR-STAR

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Structure file (mol/sdf):

bmse000985.mol

All files for

bmse000985

Time Domain Data:

bmse000985.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 DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Atom IDAuthor NomenclatureValueAmbiguity Code
C15C478.6461
C9C543.5621
C10C6120.7161
C12C7151.4854
C12C7139.0894
C13C8191.6561
C14C9151.4854
C14C9139.0894
C8C10109.7871
C4C11126.4634
C4C11128.4004
C4C11128.3004
C5C12126.4634
C5C12128.4004
C5C12128.3004
C7C13124.4314
C7C13118.9144
C11C14154.2681
C6C15124.4314
C6C15118.9144
C2C16126.4634
C2C16128.4004
C2C16128.3004
C3C17126.4634
C3C17128.4004
C3C17128.3004
C1C18126.4634
C1C18128.4004
C1C18128.3004
H29H195.5561
H27H203.1831
H27H202.7771
H28H213.1831
H28H212.7771
H26H227.1271
H22H237.5364
H22H237.4284
H22H237.3824
H23H247.5364
H23H247.4284
H23H247.3824
H25H257.0454
H25H256.9624
H24H267.0454
H24H266.9624
H20H277.5364
H20H277.4284
H20H277.3824
H21H287.5364
H21H287.4284
H21H287.3824
H19H297.5364
H19H297.4284
H19H297.3824

NMR experiments

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

Array spectrum for 1
Download time domain data: bmse000985_1.zip

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

Array spectrum for 2
Download time domain data: bmse000985_2.zip

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

Array spectrum for 3
Download time domain data: bmse000985_3.zip

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

Array spectrum for 4
Download time domain data: bmse000985_4.zip

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

Array spectrum for 5
Download time domain data: bmse000985_5.zip

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

Array spectrum for 6
Download time domain data: bmse000985_6.zip

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

Array spectrum for 7
Download time domain data: bmse000985_7.zip

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

Array spectrum for 8
Download time domain data: bmse000985_8.zip

9: 2D [1H,13C]-HMQC
Sample: 100mM in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 9
Download time domain data: bmse000985_9.zip

10: 2D [1H,13C]-HSQC SW small
Sample: 100mM in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 10
Download time domain data: bmse000985_10.zip