Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C11H12O/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-5,8H,6-7H2,1H3
SMILES	CC1CCc2c(C1=O)cccc2
InChI Key	GANIBVZSZGNMNB-UHFFFAOYSA-N
Exact Mass	160.212 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/GANIBVZSZGNMNB-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/GANIBVZSZGNMNB-UHFFFAOYSA-N/CHMO0000593
Version
Author	Grace Hunt
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:29:41.808928
MetadataModified	2024-09-23T09:26:17.853782
MetadataPublished	2024-08-09

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	temperature : 298.0 K PULPROG : zg60_ncl number of scans : 8 scans title : GH_1590-08-5_DMSO date : 20240719 starting time : 13.31 h instrument : AVIII300 label : GEH-58 id : 119462 Solvent : DMSO

Data-Source Molecule ID	Data-Source
SCHEMBL677613	SureChEMBL
1590-08-5	ACToR
15946815	PubChem: Thomson Pharma
CB7166826	ChemicalBook
MolPort-001-793-643	MolPort
J130.713D	Nikkaji
156394	ChEBI
10023498	NMRShiftDB
102650	PubChem
MCULE-2306893485	Mcule
484540	eMolecules
The data in this table is sourced from UniChem at EBI.