Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C17H30O3/c1-2-3-4-5-6-7-8-9-10-11-14-17(20)15(18)12-13-16(17)19/h12-13,15,18,20H,2-11,14H2,1H3/t15-,17+/m0/s1
SMILES	CCCCCCCCCCCC[C@@]1(O)[C@@H](O)C=CC1=O
InChI Key	LLHNPPQNZJXJID-DOTOQJQBSA-N
Molecular Formula	C17H30O3
Exact Mass	282.418 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LLHNPPQNZJXJID-DOTOQJQBSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/LLHNPPQNZJXJID-DOTOQJQBSA-N/CHMO0000498
Version
Author	Toni Ditfe
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:59:43.764186
MetadataModified	2024-09-07T23:51:56.198682
MetadataPublished	2022-11-16

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
165416624	PubChem
The data in this table is sourced from UniChem at EBI.