Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C38H30N2O8/c41-33-17-18-34(42)39(33)47-37(45)29-13-9-27(10-14-29)31-21-23-1-5-25(31)8-4-24-2-6-26(7-3-23)32(22-24)28-11-15-30(16-12-28)38(46)48-40-35(43)19-20-36(40)44/h1-2,5-6,9-16,21-22H,3-4,7-8,17-20H2
SMILES O=C1CCC(=O)N1OC(=O)c1ccc(cc1)c1cc2CCc3ccc(CCc1cc2)cc3c1ccc(cc1)C(=O)ON1C(=O)CCC1=O
InChI Key PGEDKPIHULCARL-UHFFFAOYSA-N
Molecular Formula C38H30N2O8
Exact Mass 642.653 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PGEDKPIHULCARL-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/PGEDKPIHULCARL-UHFFFAOYSA-N/CHMO0000630
Version
Author Yichuan Wang
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-04-03
Related Molecule
  • (2,5-dioxopyrrolidin-1-yl) 4-[11-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]benzoate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168008333 PubChem
    The data in this table is sourced from UniChem at EBI.