Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C14H16O2/c1-8(2)11-6-5-9(3)12-7-10(4)14(15)16-13(11)12/h5-8H,1-4H3
SMILES	Cc1cc2c(C)ccc(c2oc1=O)C(C)C
InChI Key	LSYXPDGXGOSFCW-UHFFFAOYSA-N
Molecular Formula	C14H16O2
Exact Mass	216.276 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LSYXPDGXGOSFCW-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/LSYXPDGXGOSFCW-UHFFFAOYSA-N/CHMO0000470
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:41:38.033630
MetadataModified	2024-09-07T17:19:24.915212
MetadataPublished	2020-03-06

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
145997950	PubChem
The data in this table is sourced from UniChem at EBI.