Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C21H22N2O4/c22-20(24)15-8-4-9-17-16(15)12-18(19-10-5-11-26-19)23(17)21(25)27-13-14-6-2-1-3-7-14/h1-7,9-11,15-18H,8,12-13H2,(H2,22,24)/t15-,16+,17-,18-/m0/s1
SMILES O=C(N1[C@H]2C=CC[C@@H]([C@H]2C[C@H]1c1ccco1)C(=O)N)OCc1ccccc1
InChI Key WHRMWNATVVBLTP-MHORFTMASA-N
Molecular Formula C21H22N2O4
Exact Mass 366.410 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WHRMWNATVVBLTP-MHORFTMASA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/WHRMWNATVVBLTP-MHORFTMASA-N/IR
Version
Author Sabilla Zhong
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • benzyl (2S,3aR,4S,7aS)-4-carbamoyl-2-(furan-2-yl)-2,3,3a,4,5,7a-hexahydroindole-1-carboxylate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427469 pubchem
    The data in this table is sourced from UniChem at EBI.