Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-11-13-16(18)17-14-12-15-19-17/h12,14-15H,2-11,13H2,1H3
SMILES	CCCCCCCCCCCCC(=O)c1ccco1
InChI Key	AUBNJEAJFRJWQJ-UHFFFAOYSA-N
Molecular Formula	C17H28O2
Exact Mass	264.403 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/AUBNJEAJFRJWQJ-UHFFFAOYSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/AUBNJEAJFRJWQJ-UHFFFAOYSA-N/CHMO0000498
Version
Author	Toni Ditfe
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:59:27.494707
MetadataModified	2024-09-07T23:51:35.164804
MetadataPublished	2022-11-16
Related Molecule

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
13464345	PubChem
J397.286K	Nikkaji
SCHEMBL18825664	SureChEMBL
The data in this table is sourced from UniChem at EBI.