Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C13H22O3/c1-2-3-4-5-6-7-8-12-11(14)9-10-13(15)16-12/h9-10,12-13,15H,2-8H2,1H3/t12-,13?/m0/s1
SMILES	CCCCCCCC[C@@H]1OC(O)C=CC1=O
InChI Key	IWXIQYYOEMWJQO-UEWDXFNNSA-N
Molecular Formula	C13H22O3
Exact Mass	226.312 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/IWXIQYYOEMWJQO-UEWDXFNNSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/IWXIQYYOEMWJQO-UEWDXFNNSA-N/CHMO0000498
Version
Author	Toni Ditfe
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:56:01.152070
MetadataModified	2024-09-07T23:47:00.578209
MetadataPublished	2022-11-16

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
165416631	PubChem
The data in this table is sourced from UniChem at EBI.