Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C10H12ClNO/c1-7(2)12-10(13)8-3-5-9(11)6-4-8/h3-7H,1-2H3,(H,12,13)
SMILES CC(NC(=O)c1ccc(cc1)Cl)C
InChI Key MWWJUXGMIOUFOP-UHFFFAOYSA-N
Molecular Formula C10H12ClNO
Exact Mass 197.661 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MWWJUXGMIOUFOP-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/MWWJUXGMIOUFOP-UHFFFAOYSA-N/IR.1
Version
Author Daniele Antermite
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:18:05.266046
MetadataModified 2024-09-07T13:42:33.225579
MetadataPublished 2014-08-11
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL8185351 SureChEMBL
5394850 eMolecules
24045 PubChem
7461-41-8 ACToR
MCULE-4351639415 Mcule
J149.075C Nikkaji
DTXSID00225594 EPA CompTox Dashboard
ZINC000001069331 ZINC
The data in this table is sourced from UniChem at EBI.