Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C14H12ClNO/c1-10-12(15)8-5-9-13(10)16-14(17)11-6-3-2-4-7-11/h2-9H,1H3,(H,16,17)
SMILES O=C(c1ccccc1)Nc1cccc(c1C)Cl
InChI Key YYBZYCYXYZUIHL-UHFFFAOYSA-N
Molecular Formula C14H12ClNO
Exact Mass 245.704 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YYBZYCYXYZUIHL-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/YYBZYCYXYZUIHL-UHFFFAOYSA-N/IR.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:16:33.689418
MetadataModified 2024-09-07T13:40:00.268557
MetadataPublished 2014-07-23
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
40447-04-9 ACToR
1940625 eMolecules
98772 PubChem
KHD4YVI1MG FDA SRS
J332.422B Nikkaji
MCULE-2197258874 Mcule
ZINC000000283997 ZINC
DTXSID20193463 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.