Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C14H16O2/c1-8(2)11-7-12-9(3)5-6-10(4)13(12)16-14(11)15/h5-8H,1-4H3
SMILES	CC(c1cc2c(C)ccc(c2oc1=O)C)C
InChI Key	LYFFZXWVFDIRLC-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/LYFFZXWVFDIRLC-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/LYFFZXWVFDIRLC-UHFFFAOYSA-N/CHMO0000470
Version
Author	Florian Mohr
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T04:17:38.234925
MetadataModified	2024-09-07T19:27:06.610454
MetadataPublished	2021-03-01
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
138453825	PubChem
The data in this table is sourced from UniChem at EBI.