Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C17H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-16-15(18)13-14-17(19)20-16/h13-14,16-17,19H,2-12H2,1H3/t16-,17?/m1/s1
SMILES	CCCCCCCCCCCC[C@H]1OC(O)C=CC1=O
InChI Key	HRRYGSPDIDDOQX-TZHYSIJRSA-N
Molecular Formula	C17H30O3
Exact Mass	282.418 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HRRYGSPDIDDOQX-TZHYSIJRSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/HRRYGSPDIDDOQX-TZHYSIJRSA-N/CHMO0000498
Version
Author	Toni Ditfe
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:56:15.010421
MetadataModified	2024-09-07T23:47:23.398140
MetadataPublished	2022-11-16

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
165416625	PubChem
The data in this table is sourced from UniChem at EBI.