Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C15H18O3/c1-5-6-11-7-12-10(4)13(16)8(2)9(3)14(12)18-15(11)17/h7,16H,5-6H2,1-4H3
SMILES	CCCc1cc2c(C)c(O)c(c(c2oc1=O)C)C
InChI Key	IETKJRBIHIWTDA-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/IETKJRBIHIWTDA-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/IETKJRBIHIWTDA-UHFFFAOYSA-N/CHMO0000470
Version
Author	Florian Mohr
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T04:16:55.632192
MetadataModified	2024-09-07T19:26:11.759600
MetadataPublished	2021-03-01
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
155804314	PubChem
The data in this table is sourced from UniChem at EBI.