Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C13H22O2/c1-2-3-4-5-6-7-9-12(14)13-10-8-11-15-13/h8,10-12,14H,2-7,9H2,1H3/t12-/m1/s1
SMILES	CCCCCCCC[C@H](c1ccco1)O
InChI Key	WCDUEUSLTDIZHW-GFCCVEGCSA-N
Molecular Formula	C13H22O2
Exact Mass	210.313 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WCDUEUSLTDIZHW-GFCCVEGCSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/WCDUEUSLTDIZHW-GFCCVEGCSA-N/CHMO0000498
Version
Author	Toni Ditfe
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:56:31.892323
MetadataModified	2024-09-07T23:47:44.626220
MetadataPublished	2022-11-16

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
639807	PubChem
The data in this table is sourced from UniChem at EBI.