Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C19H21NOS/c1-19(2,3)22(21)20-18(17-12-8-5-9-13-17)15-14-16-10-6-4-7-11-16/h4-15H,1-3H3/b15-14+,20-18-/t22-/m0/s1
SMILES O=[S@@](C(C)(C)C)/N=C(\c1ccccc1)/C=C/c1ccccc1
InChI Key ZJYBJIIJQZUJAO-IUGZDUDYSA-N
Molecular Formula C19H21NOS
Exact Mass 311.441 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZJYBJIIJQZUJAO-IUGZDUDYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/ZJYBJIIJQZUJAO-IUGZDUDYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:11:47.620815
MetadataModified 2024-09-07T15:14:54.519917
MetadataPublished 2019-06-27
Related Molecule
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
135021372 PubChem
The data in this table is sourced from UniChem at EBI.