Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C17H22O3/c1-5-6-7-8-13-9-14-12(4)15(18)10(2)11(3)16(14)20-17(13)19/h9,18H,5-8H2,1-4H3
SMILES	CCCCCc1cc2c(C)c(O)c(c(c2oc1=O)C)C
InChI Key	KPXAPSGOGAMFLW-UHFFFAOYSA-N
Molecular Formula	C17H22O3
Exact Mass	274.355 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/KPXAPSGOGAMFLW-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/KPXAPSGOGAMFLW-UHFFFAOYSA-N/CHMO0000470
Version
Author	Florian Mohr
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T04:16:42.744809
MetadataModified	2024-09-07T19:25:53.193349
MetadataPublished	2021-03-01
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
155804309	PubChem
The data in this table is sourced from UniChem at EBI.