Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C37H36N2O6Se/c1-36(2,3)45-35(42)38-30-22-14-13-21-29(30)37(46-28-19-11-6-12-20-28)23-31(32(40)43-24-26-15-7-4-8-16-26)39(33(37)38)34(41)44-25-27-17-9-5-10-18-27/h4-22,31,33H,23-25H2,1-3H3/t31-,33-,37+/m0/s1
SMILES O=C([C@@H]1C[C@@]2([C@H](N1C(=O)OCc1ccccc1)N(c1c2cccc1)C(=O)OC(C)(C)C)[Se]c1ccccc1)OCc1ccccc1
InChI Key DPWJWFIZCPGANH-MSQJTAOTSA-N
Molecular Formula C37H36N2O6Se
Exact Mass 683.652 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DPWJWFIZCPGANH-MSQJTAOTSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/DPWJWFIZCPGANH-MSQJTAOTSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 2-O,3-O-dibenzyl 4-O-tert-butyl (2S,3aR,8bR)-8b-phenylselanyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole-2,3,4-tricarboxylate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453439 pubchem
    The data in this table is sourced from UniChem at EBI.