Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C24H35NO5/c1-14(2)18-11-6-15(3)12-21(18)30-23(26)19-13-20(24(27)29-5)25-22(19)16-7-9-17(28-4)10-8-16/h7-10,14-15,18-22,25H,6,11-13H2,1-5H3/t15-,18+,19+,20+,21-,22+/m1/s1
SMILES COC(=O)[C@@H]1C[C@@H]([C@@H](N1)c1ccc(cc1)OC)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChI Key YPTQHKNKMSSPRR-XRFXIRKLSA-N
Molecular Formula C24H35NO5
Exact Mass 417.538 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YPTQHKNKMSSPRR-XRFXIRKLSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/YPTQHKNKMSSPRR-XRFXIRKLSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 2-O-methyl 4-O-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S,4S,5R)-5-(4-methoxyphenyl)pyrrolidine-2,4-dicarboxylate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453574 PubChem
    The data in this table is sourced from UniChem at EBI.