Dataset

2_NMR_Methanol-d4-1.hsqc

Chemical Info

molecular Image
InChI InChI=1S/C21H20O6/c1-11(2)4-6-13-16(23)9-17(24)19-20(25)14(10-27-21(13)19)12-5-7-15(22)18(8-12)26-3/h4-5,7-10,22-24H,6H2,1-3H3
SMILES COC1=CC(C2=COC3=C(CC=C(C)C)C(O)=CC(O)=C3C2=O)=CC=C1O
InChI Key OZVILOLUKCJYAQ-UHFFFAOYSA-N
Molecular Formula C21H20O6
Exact Mass 368.400 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p55.s281.d1649
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1649
Version
Author Çiçek SS, Galarza Pérez M, Wenzel-Storjohann A, Bezerra RM, Segovia JFO, Girreser U, Kanzaki I, Tasdemir D.
Maintainer
Language english
MetadataCreated 2024-04-22T16:17:52.016641
MetadataModified 2024-09-23T09:32:59.369137
MetadataPublished 2024-01-16 10:27:41
Field Value
Measurement Technique heteronuclear single quantum coherence
Measurement Variables
NMR solvent : MeOD

acquisition nucleus : ['1H', '13C']

NMR spectrum by dimensionality : 2

NMR probe : Z116098_0775 (PA BBO 400S1 BBF-H-D-05 Z SP)

Temperature : 295.125 K

magnetic field strength : 9.40238863211055 Tesla

number of scans : 2 scans

nuclear magnetic resonance pulse sequence : hsqcedetgpsisp2.3

Spectral Width : [13.0100193387127, 170.091033599436]

number of data points : 9 points

relaxation time measurement : 1.5 seconds

Data-Source Molecule ID Data-Source
60074229 NMRShiftDB
14258998 PubChem
ZINC000014763017 ZINC
LMPK12050256 LipidMaps
The data in this table is sourced from UniChem at EBI.