Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C18H18N2OS2/c1-21-16-10-5-9-15(13-16)19-20-17(14-7-3-2-4-8-14)18-22-11-6-12-23-18/h2-5,7-10,13H,6,11-12H2,1H3/b20-19+
SMILES COc1cccc(c1)/N=N/C(=C1SCCCS1)c1ccccc1
InChI Key NSQFGCRLZMUDCH-FMQUCBEESA-N
Molecular Formula C18H18N2OS2
Exact Mass 342.478 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NSQFGCRLZMUDCH-FMQUCBEESA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/NSQFGCRLZMUDCH-FMQUCBEESA-N/IR
Version
Author Bettina Stanek
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:48:36.990676
MetadataModified 2024-09-07T12:24:50.308797
MetadataPublished 2014-05-27
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
No additional information available for this Dataset.