Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C7H6O/c8-7-5-3-1-2-4-6-7/h1-6H
SMILES O=c1cccccc1
InChI Key QVWDCTQRORVHHT-UHFFFAOYSA-N
Exact Mass 106.122 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QVWDCTQRORVHHT-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/QVWDCTQRORVHHT-UHFFFAOYSA-N/CHMO0001150
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T02:19:34.783400
MetadataModified 2024-09-23T09:21:56.813587
MetadataPublished 2024-02-12
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
temperature : 300.0 K

PULPROG : cosygpppqf

number of scans : 1 scans

title : SVS-3710

date : 20240208

starting time : 14.45 h

instrument : spect

label : CCP-3540

id : 294453

Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID Data-Source
492126 eMolecules
CB8724528 ChemicalBook
14769279 PubChem: Thomson Pharma
SCHEMBL316824 SureChEMBL
539-80-0 ACToR
PD158365 ProbesDrugs
32500 Brenda
95275 Brenda
TROPON CCDC
J99.871K Nikkaji
CO48X7SUFH FDA SRS
ZINC000002034873 ZINC
DTXSID60202169 EPA CompTox Dashboard
MCULE-5628531135 Mcule
10881 PubChem
10015920 NMRShiftDB
The data in this table is sourced from UniChem at EBI.