Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C14H7ClN2S/c15-11-5-6-13-12(7-11)17-14(18-13)10-3-1-9(8-16)2-4-10/h1-7H
SMILES N#Cc1ccc(cc1)c1nc2c(s1)ccc(c2)Cl
InChI Key XNPQNKNZBZIPFJ-UHFFFAOYSA-N
Molecular Formula C14H7ClN2S
Exact Mass 270.737 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XNPQNKNZBZIPFJ-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/XNPQNKNZBZIPFJ-UHFFFAOYSA-N/CHMO0000630
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:36:22.181616
MetadataModified 2024-09-07T17:12:08.071845
MetadataPublished 2020-02-28
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
145944368 PubChem
The data in this table is sourced from UniChem at EBI.