Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C21H38O3/c1-5-6-7-8-9-10-11-12-13-14-15-19-18(22)16-17-20(23-19)24-21(2,3)4/h16-17,19-20H,5-15H2,1-4H3/t19-,20?/m0/s1
SMILES	CCCCCCCCCCCC[C@@H]1OC(C=CC1=O)OC(C)(C)C
InChI Key	ZDYYYIGTVOCEMS-XJDOXCRVSA-N
Molecular Formula	C21H38O3
Exact Mass	338.525 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ZDYYYIGTVOCEMS-XJDOXCRVSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/ZDYYYIGTVOCEMS-XJDOXCRVSA-N/CHMO0000498
Version
Author	Toni Ditfe
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:57:24.684937
MetadataModified	2024-09-07T23:48:53.886769
MetadataPublished	2022-11-16

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
165416636	PubChem
The data in this table is sourced from UniChem at EBI.