Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C15H12Cl2O2/c1-9-10(3-2-4-15(9)19)5-6-12-13(16)7-11(18)8-14(12)17/h7-8,18H,2-4H2,1H3
SMILES	CC1=C(CCCC1=O)C#Cc1c(Cl)cc(cc1Cl)O
InChI Key	JVYNUFUQTOHCQS-UHFFFAOYSA-N
Molecular Formula	C15H12Cl2O2
Exact Mass	295.161 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/JVYNUFUQTOHCQS-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/JVYNUFUQTOHCQS-UHFFFAOYSA-N/CHMO0000470
Version
Author	Lutz-F. Tietze
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:54:16.298319
MetadataModified	2024-09-07T22:26:26.727741
MetadataPublished	2022-06-29

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
163410446	PubChem
The data in this table is sourced from UniChem at EBI.