Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
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

Metadata Information

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
MetadataPublished 2019-06-27
Related Molecule
  • (4-chlorophenyl)-[(1E,5Z)-cycloocta-1,5-dien-1-yl]methanone
    • 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.