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/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H3
SMILES Cc1ccc(cc1)C(=O)C
InChI Key GNKZMNRKLCTJAY-UHFFFAOYSA-N
Molecular Formula C9H10O
Exact Mass 134.175 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GNKZMNRKLCTJAY-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/GNKZMNRKLCTJAY-UHFFFAOYSA-N/CHMO0001150
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:24:43.187486
MetadataModified 2024-09-08T04:24:43.187491
MetadataPublished 2024-08-07
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL271871 ChEMBL
ZINC000001699969 ZINC
DTXSID9044374 EPA CompTox Dashboard
EVUZOK CCDC
254796 Brenda
J2.926B Nikkaji
HY-W012653 MedChemExpress
SCHEMBL55409 SureChEMBL
14818217 PubChem: Thomson Pharma
122-00-9 ACToR
AX66V0KX3Y FDA SRS
178626 ChEBI
PD158295 ProbesDrugs
8500 PubChem
MCULE-5591471266 Mcule
10024884 NMRShiftDB
HMDB0032608 Human Metabolome Database
76056 Brenda
7564 Brenda
CB5852945 ChemicalBook
527630 eMolecules
The data in this table is sourced from UniChem at EBI.