Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C31H32N2O6/c1-31(2,3)39-30(36)33-19-24(25-16-10-11-17-27(25)33)18-26(28(34)37-20-22-12-6-4-7-13-22)32-29(35)38-21-23-14-8-5-9-15-23/h4-17,19,26H,18,20-21H2,1-3H3,(H,32,35)/t26-/m0/s1
SMILES O=C(N[C@H](C(=O)OCc1ccccc1)Cc1cn(c2c1cccc2)C(=O)OC(C)(C)C)OCc1ccccc1
InChI Key KVGMNWHILJDXCC-SANMLTNESA-N
Molecular Formula C31H32N2O6
Exact Mass 528.596 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KVGMNWHILJDXCC-SANMLTNESA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/KVGMNWHILJDXCC-SANMLTNESA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • tert-butyl 3-[(2S)-3-oxo-3-phenylmethoxy-2-(phenylmethoxycarbonylamino)propyl]indole-1-carboxylate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453438 pubchem
    The data in this table is sourced from UniChem at EBI.