Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C16H16ClNO3/c1-20-14-7-8-15(21-2)11(9-14)10-16(19)18-13-5-3-12(17)4-6-13/h3-9H,10H2,1-2H3,(H,18,19)
SMILES COc1ccc(cc1CC(=O)Nc1ccc(cc1)Cl)OC
InChI Key MCUHXKALXZSNNU-UHFFFAOYSA-N
Molecular Formula C16H16ClNO3
Exact Mass 305.756 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MCUHXKALXZSNNU-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/MCUHXKALXZSNNU-UHFFFAOYSA-N/IR.1
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:30:11.847202
MetadataModified 2024-09-07T14:01:04.464788
MetadataPublished 2015-05-12
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000020447808 ZINC
MCULE-1831928282 Mcule
78804409 PubChem
The data in this table is sourced from UniChem at EBI.