Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C13H20O2/c1-2-3-4-5-6-7-9-12(14)13-10-8-11-15-13/h8,10-11H,2-7,9H2,1H3
SMILES	CCCCCCCCC(=O)c1ccco1
InChI Key	IVMLTMNCNAILQF-UHFFFAOYSA-N
Molecular Formula	C13H20O2
Exact Mass	208.297 g/mol

Data and Resources

• high-resolution mass spectrometry (HRMS)HTML
  Explore

  • More information
  • Go to resource

• high-resolution-mas...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/IVMLTMNCNAILQF-UHFFFAOYSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/IVMLTMNCNAILQF-UHFFFAOYSA-N/CHMO0000498
Version
Author	Toni Ditfe
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:00:20.249495
MetadataModified	2024-09-07T23:52:42.048998
MetadataPublished	2022-11-16

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J371.321K	Nikkaji
4323817	eMolecules
16203377	PubChem: Thomson Pharma
SCHEMBL4382929	SureChEMBL
3779043	PubChem
The data in this table is sourced from UniChem at EBI.