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/C7H6O3/c8-4-5-1-6(9)3-7(10)2-5/h1-4,9-10H
SMILES O=Cc1cc(O)cc(c1)O
InChI Key HAQLHRYUDBKTJG-UHFFFAOYSA-N
Molecular Formula C7H6O3
Exact Mass 138.121 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HAQLHRYUDBKTJG-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/HAQLHRYUDBKTJG-UHFFFAOYSA-N/CHMO0001150
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T19:52:27.594109
MetadataModified 2024-09-08T04:00:54.856321
MetadataPublished 2024-07-04
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
94365 PubChem
14747740 PubChem: Thomson Pharma
PD131130 ProbesDrugs
26153-38-8 ACToR
SCHEMBL37131 SureChEMBL
J20.078F Nikkaji
20035551 NMRShiftDB
MCULE-3087026244 Mcule
DTXSID60180776 EPA CompTox Dashboard
ZINC000002566024 ZINC
CB6443157 ChemicalBook
50204 ChEBI
501807 eMolecules
The data in this table is sourced from UniChem at EBI.