Dataset

4_NMR_DMSO-d6-1.cosy

Chemical Info

molecular Image
InChI InChI=1S/C20H20O6/c1-20(2,25)8-7-13-15(22)9-16(23)17-18(24)14(10-26-19(13)17)11-3-5-12(21)6-4-11/h3-6,9-10,21-23,25H,7-8H2,1-2H3
SMILES CC(C)(O)CCC1=C2OC=C(C3=CC=C(O)C=C3)C(=O)C2=C(O)C=C1O
InChI Key ZKEHDQGXEYXKFI-UHFFFAOYSA-N
Molecular Formula C20H20O6
Exact Mass 356.400 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p55.s286.d1672
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1672
Version
Author Çiçek SS, Galarza Pérez M, Wenzel-Storjohann A, Bezerra RM, Segovia JFO, Girreser U, Kanzaki I, Tasdemir D.
Maintainer
Language english
MetadataCreated 2024-04-22T16:16:01.905249
MetadataModified 2024-09-23T09:32:43.382164
MetadataPublished 2024-01-16 10:27:41
Field Value
Measurement Technique correlation spectroscopy
Measurement Variables
NMR solvent : DMSO

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

NMR spectrum by dimensionality : 2

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

Temperature : 294.9201 K

magnetic field strength : 9.40238863211055 Tesla

number of scans : 1 scans

nuclear magnetic resonance pulse sequence : cosygpmfqf

Spectral Width : [14.5227999986465, 14.5227999986465]

number of data points : 7 points

relaxation time measurement : 1.451667 seconds

Data-Source Molecule ID Data-Source
70019883 NMRShiftDB
5378202 PubChem
ZINC000014819522 ZINC
The data in this table is sourced from UniChem at EBI.