Dataset

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

Chemical Info

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

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

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
8500	PubChem
SCHEMBL55409	SureChEMBL
PD158295	ProbesDrugs
AX66V0KX3Y	FDA SRS
122-00-9	ACToR
178626	ChEBI
14818217	PubChem: Thomson Pharma
527630	eMolecules
7564	Brenda
76056	Brenda
HMDB0032608	Human Metabolome Database
CB5852945	ChemicalBook
MCULE-5591471266	Mcule
10024884	NMRShiftDB
CHEMBL271871	ChEMBL
HY-W012653	MedChemExpress
DTXSID9044374	EPA CompTox Dashboard
EVUZOK	CCDC
J2.926B	Nikkaji
254796	Brenda
ZINC000001699969	ZINC
The data in this table is sourced from UniChem at EBI.