Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C14H16O2/c1-4-5-11-8-12-9(2)6-7-10(3)13(12)16-14(11)15/h6-8H,4-5H2,1-3H3
SMILES	CCCc1cc2c(C)ccc(c2oc1=O)C
InChI Key	GMBVEWBVZYIJNE-UHFFFAOYSA-N
Molecular Formula	C14H16O2
Exact Mass	216.276 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/GMBVEWBVZYIJNE-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/GMBVEWBVZYIJNE-UHFFFAOYSA-N/CHMO0000470
Version
Author	Florian Mohr
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T04:18:16.768377
MetadataModified	2024-09-07T19:27:53.080886
MetadataPublished	2021-03-01
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
138453827	PubChem
The data in this table is sourced from UniChem at EBI.