Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)

Chemical Info

molecular Image
InChI InChI=1S/C30H38N4O4/c1-2-3-10-17-33-21-27(35)31-24(19-22-12-6-4-7-13-22)28(36)32-25(20-23-14-8-5-9-15-23)29(37)34-18-11-16-26(34)30(33)38/h4-9,12-15,24-26H,2-3,10-11,16-21H2,1H3,(H,31,35)(H,32,36)/t24-,25-,26+/m0/s1
SMILES CCCCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N2[C@@H](C1=O)CCC2)Cc1ccccc1
InChI Key LHNYJWCUQPWKRA-KKUQBAQOSA-N
Molecular Formula C30H38N4O4
Exact Mass 518.647 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LHNYJWCUQPWKRA-KKUQBAQOSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/LHNYJWCUQPWKRA-KKUQBAQOSA-N/CHMO0001150
Version
Author Claudine Herlan
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-09-23
Related Molecule
  • (3S,6S,12R)-3,6-dibenzyl-10-pentyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    156599662 PubChem
    The data in this table is sourced from UniChem at EBI.