Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C13H16N2OS/c1-3-16-13-9(2)17-12(15-13)8-10-4-6-11(14)7-5-10/h4-9H,3,14H2,1-2H3/b12-8-
SMILES CCOC1=N/C(=C/c2ccc(cc2)N)/SC1C
InChI Key XCRKWENUDQQROP-WQLSENKSSA-N
Molecular Formula C13H16N2OS
Exact Mass 248.344 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XCRKWENUDQQROP-WQLSENKSSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/XCRKWENUDQQROP-WQLSENKSSA-N/CHMO0000630
Version
Author Eric Täuscher
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:50:41.147026
MetadataModified 2024-09-08T01:50:41.147032
MetadataPublished 2023-11-07
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables