Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C15H26O3/c1-2-3-4-5-6-7-8-9-12-15(18)13(16)10-11-14(15)17/h10-11,13,16,18H,2-9,12H2,1H3/t13-,15+/m0/s1
SMILES	CCCCCCCCCC[C@@]1(O)[C@@H](O)C=CC1=O
InChI Key	MKKDUMSLKJQOTQ-DZGCQCFKSA-N
Molecular Formula	C15H26O3
Exact Mass	254.365 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MKKDUMSLKJQOTQ-DZGCQCFKSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/MKKDUMSLKJQOTQ-DZGCQCFKSA-N/CHMO0000498
Version
Author	Toni Ditfe
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:58:44.222081
MetadataModified	2024-09-07T23:50:37.972278
MetadataPublished	2022-11-16

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
165416622	PubChem
The data in this table is sourced from UniChem at EBI.