Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-10-13-14(16)11-12-15(13)17/h11-14,16H,2-10H2,1H3/t13-,14+/m1/s1
SMILES	CCCCCCCCCC[C@@H]1[C@@H](O)C=CC1=O
InChI Key	QASMSWCXGLQOPI-KGLIPLIRSA-N
Molecular Formula	C15H26O2
Exact Mass	238.366 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QASMSWCXGLQOPI-KGLIPLIRSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/QASMSWCXGLQOPI-KGLIPLIRSA-N/CHMO0000498
Version
Author	Toni Ditfe
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:57:54.257539
MetadataModified	2024-09-07T23:49:33.364284
MetadataPublished	2022-11-16

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
165416621	PubChem
The data in this table is sourced from UniChem at EBI.