Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-11-14(16)15-12-10-13-17-15/h10,12-14,16H,2-9,11H2,1H3
SMILES	CCCCCCCCCCC(c1ccco1)O
InChI Key	XDKMPPWBMLMXLH-UHFFFAOYSA-N
Molecular Formula	C15H26O2
Exact Mass	238.366 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XDKMPPWBMLMXLH-UHFFFAOYSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/XDKMPPWBMLMXLH-UHFFFAOYSA-N/CHMO0000498
Version
Author	Toni Ditfe
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:00:00.046520
MetadataModified	2024-09-07T23:52:17.701397
MetadataPublished	2022-11-16

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
15789329	PubChem: Thomson Pharma
10752445	PubChem
J956.562K	Nikkaji
SCHEMBL2828919	SureChEMBL
The data in this table is sourced from UniChem at EBI.