Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C18H20O/c1-13(19)18-12-16-7-6-14-2-4-15(5-3-14)8-10-17(18)11-9-16/h2-5,9,11-13,19H,6-8,10H2,1H3
SMILES	CC(c1cc2CCc3ccc(CCc1cc2)cc3)O
InChI Key	IOOIGEUVTBOKRL-UHFFFAOYSA-N
Molecular Formula	C18H20O
Exact Mass	252.351 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/IOOIGEUVTBOKRL-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/IOOIGEUVTBOKRL-UHFFFAOYSA-N/CHMO0000470
Version
Author	Patrick Kern
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:50:11.018843
MetadataModified	2024-09-08T03:50:11.018848
MetadataPublished	2024-06-05

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
1071301	eMolecules
MCULE-7337570922	Mcule
DTXSID90284019	EPA CompTox Dashboard
234648	PubChem
The data in this table is sourced from UniChem at EBI.