Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C13H14O2/c1-4-10-7-11-8(2)5-6-9(3)12(11)15-13(10)14/h5-7H,4H2,1-3H3
SMILES	CCc1cc2c(C)ccc(c2oc1=O)C
InChI Key	UKIXBAPVINLRJW-UHFFFAOYSA-N
Molecular Formula	C13H14O2
Exact Mass	202.249 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/UKIXBAPVINLRJW-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/UKIXBAPVINLRJW-UHFFFAOYSA-N/CHMO0000470
Version
Author	Florian Mohr
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T04:15:35.552300
MetadataModified	2024-09-07T19:24:25.000224
MetadataPublished	2021-03-01
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
138453830	PubChem
The data in this table is sourced from UniChem at EBI.