Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C17H17FN2S2/c18-14-7-9-15(10-8-14)19-20-16(13-5-2-1-3-6-13)17-21-11-4-12-22-17/h1-3,5-10,17,19H,4,11-12H2/b20-16+
SMILES Fc1ccc(cc1)N/N=C(\c1ccccc1)/C1SCCCS1
InChI Key QDPNXEBIDUXHCH-CAPFRKAQSA-N
Molecular Formula C17H17FN2S2
Exact Mass 332.459 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QDPNXEBIDUXHCH-CAPFRKAQSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/QDPNXEBIDUXHCH-CAPFRKAQSA-N/IR
Version
Author Bettina Stanek
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:21:51.736882
MetadataModified 2024-09-07T12:29:00.009260
MetadataPublished 2014-05-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
73427409 PubChem
The data in this table is sourced from UniChem at EBI.