Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C16H19NO2S/c1-3-5-11-13(18)14-15(19-4-2)17-16(20-14)12-9-7-6-8-10-12/h6-10H,3-5,11H2,1-2H3
SMILES CCCCC(=O)c1sc(nc1OCC)c1ccccc1
InChI Key ABSYTDGSQMUQGE-UHFFFAOYSA-N
Molecular Formula C16H19NO2S
Exact Mass 289.393 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ABSYTDGSQMUQGE-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/ABSYTDGSQMUQGE-UHFFFAOYSA-N/CHMO0000630
Version
Author Eric Täuscher
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T02:05:06.214463
MetadataModified 2024-09-08T02:05:06.214469
MetadataPublished 2023-12-12
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables