Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C26H30N4O4/c1-17-23(31)28-20(15-18-9-4-2-5-10-18)24(32)29-21(16-19-11-6-3-7-12-19)26(34)30-14-8-13-22(30)25(33)27-17/h2-7,9-12,17,20-22H,8,13-16H2,1H3,(H,27,33)(H,28,31)(H,29,32)/t17-,20-,21-,22+/m0/s1
SMILES C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1ccccc1)Cc1ccccc1
InChI Key OFFJMDBNJHFCGB-AGOPTVSRSA-N
Molecular Formula C26H30N4O4
Exact Mass 462.541 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OFFJMDBNJHFCGB-AGOPTVSRSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/OFFJMDBNJHFCGB-AGOPTVSRSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • (3S,6S,9S,12R)-3,6-dibenzyl-9-methyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453605 PubChem
    The data in this table is sourced from UniChem at EBI.