Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C19H21NO5/c1-12(21)14-8-5-9-16-15(14)10-17(18(22)23)20(16)19(24)25-11-13-6-3-2-4-7-13/h2-7,9,14-17H,8,10-11H2,1H3,(H,22,23)/t14-,15-,16+,17+/m1/s1
SMILES OC(=O)[C@@H]1C[C@H]2[C@@H](N1C(=O)OCc1ccccc1)C=CC[C@@H]2C(=O)C
InChI Key DJNCWBBLHOXSEL-NCOADZHNSA-N
Molecular Formula C19H21NO5
Exact Mass 343.374 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DJNCWBBLHOXSEL-NCOADZHNSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/DJNCWBBLHOXSEL-NCOADZHNSA-N/IR
Version
Author Sabilla Zhong
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • (2S,3aR,4S,7aS)-4-acetyl-1-phenylmethoxycarbonyl-2,3,3a,4,5,7a-hexahydroindole-2-carboxylic acid
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427468 PubChem
    The data in this table is sourced from UniChem at EBI.