Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C14H16O3/c1-5-10-6-11-9(4)12(15)7(2)8(3)13(11)17-14(10)16/h6,15H,5H2,1-4H3
SMILES	CCc1cc2c(C)c(O)c(c(c2oc1=O)C)C
InChI Key	CMIRTBGZCFHKOS-UHFFFAOYSA-N
Molecular Formula	C14H16O3
Exact Mass	232.275 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/CMIRTBGZCFHKOS-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/CMIRTBGZCFHKOS-UHFFFAOYSA-N/CHMO0000470
Version
Author	Florian Mohr
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T04:14:36.720973
MetadataModified	2024-09-07T19:23:08.816092
MetadataPublished	2021-03-01
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
155804311	PubChem
The data in this table is sourced from UniChem at EBI.