Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C17H30O3/c1-5-6-7-8-9-10-13-17(19)14(18)11-12-15(17)20-16(2,3)4/h11-12,15,19H,5-10,13H2,1-4H3/t15-,17-/m0/s1
SMILES	CCCCCCCC[C@@]1(O)[C@H](C=CC1=O)OC(C)(C)C
InChI Key	TUCAXGNMUKBIKE-RDJZCZTQSA-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/TUCAXGNMUKBIKE-RDJZCZTQSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/TUCAXGNMUKBIKE-RDJZCZTQSA-N/CHMO0000498
Version
Author	Toni Ditfe
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:58:54.058027
MetadataModified	2024-09-07T23:50:51.083353
MetadataPublished	2022-11-16

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
165416635	PubChem
The data in this table is sourced from UniChem at EBI.