Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C17H30O2/c1-2-3-4-5-6-7-8-9-10-11-13-16(18)17-14-12-15-19-17/h12,14-16,18H,2-11,13H2,1H3/t16-/m1/s1
SMILES	CCCCCCCCCCCC[C@H](c1ccco1)O
InChI Key	KWSOXPPLWZODNZ-MRXNPFEDSA-N
Molecular Formula	C17H30O2
Exact Mass	266.419 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/KWSOXPPLWZODNZ-MRXNPFEDSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/KWSOXPPLWZODNZ-MRXNPFEDSA-N/CHMO0000498
Version
Author	Toni Ditfe
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:58:24.308091
MetadataModified	2024-09-07T23:50:10.276844
MetadataPublished	2022-11-16

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
165416632	PubChem
The data in this table is sourced from UniChem at EBI.