Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C15H15ClO/c16-14-10-8-13(9-11-14)15(17)12-6-4-2-1-3-5-7-12/h1-2,7-11H,3-6H2/b2-1-,12-7+
SMILES	Clc1ccc(cc1)C(=O)C1=CCCC=CCC1
InChI Key	JFJCFUXIGLMBCP-CTIYNGTBSA-N
Molecular Formula	C15H15ClO
Exact Mass	246.732 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JFJCFUXIGLMBCP-CTIYNGTBSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/JFJCFUXIGLMBCP-CTIYNGTBSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:27:33.917272
MetadataModified	2024-09-07T15:38:26.407846
MetadataPublished	2019-06-27
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453692	PubChem
The data in this table is sourced from UniChem at EBI.