Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C15H18O3/c1-7(2)11-6-12-10(5)13(16)8(3)9(4)14(12)18-15(11)17/h6-7,16H,1-5H3
SMILES	CC(c1cc2c(C)c(O)c(c(c2oc1=O)C)C)C
InChI Key	JPORYHFPBKNNIU-UHFFFAOYSA-N
Molecular Formula	C15H18O3
Exact Mass	246.302 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JPORYHFPBKNNIU-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/JPORYHFPBKNNIU-UHFFFAOYSA-N/CHMO0000470
Version
Author	Florian Mohr
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T04:14:46.221198
MetadataModified	2024-09-07T19:23:22.012632
MetadataPublished	2021-03-01
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
155804310	PubChem
The data in this table is sourced from UniChem at EBI.