Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C16H18O/c1-12(2)16(17)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,16-17H,1-2H3
SMILES	CC(C(c1ccc(cc1)c1ccccc1)O)C
InChI Key	VJPZDHHSRNEGKG-UHFFFAOYSA-N
Molecular Formula	C16H18O
Exact Mass	226.314 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/VJPZDHHSRNEGKG-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/VJPZDHHSRNEGKG-UHFFFAOYSA-N/CHMO0000470
Version
Author	Yannick Matt
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:44:25.532246
MetadataModified	2024-09-07T18:43:59.111016
MetadataPublished	2020-08-26

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J2.129.957J	Nikkaji
SCHEMBL17878528	SureChEMBL
12190886	PubChem
The data in this table is sourced from UniChem at EBI.