Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C16H20O3/c1-5-6-7-12-8-13-11(4)14(17)9(2)10(3)15(13)19-16(12)18/h8,17H,5-7H2,1-4H3
SMILES	CCCCc1cc2c(C)c(O)c(c(c2oc1=O)C)C
InChI Key	LQTFPYMIMKMUQX-UHFFFAOYSA-N
Molecular Formula	C16H20O3
Exact Mass	260.328 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/LQTFPYMIMKMUQX-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/LQTFPYMIMKMUQX-UHFFFAOYSA-N/CHMO0000470
Version
Author	Florian Mohr
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T04:15:22.819727
MetadataModified	2024-09-07T19:24:08.928821
MetadataPublished	2021-03-01
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
155804312	PubChem
The data in this table is sourced from UniChem at EBI.