Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C29H36N4O4/c1-2-3-15-23-27(35)31-24(18-21-11-6-4-7-12-21)29(37)32(19-22-13-8-5-9-14-22)20-26(34)33-17-10-16-25(33)28(36)30-23/h4-9,11-14,23-25H,2-3,10,15-20H2,1H3,(H,30,36)(H,31,35)/t23-,24-,25+/m0/s1
SMILES CCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)CN(C(=O)[C@@H](NC1=O)Cc1ccccc1)Cc1ccccc1
InChI Key RLRTURXXZJRTDG-CCDWMCETSA-N
Molecular Formula C29H36N4O4
Exact Mass 504.621 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RLRTURXXZJRTDG-CCDWMCETSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/RLRTURXXZJRTDG-CCDWMCETSA-N/CHMO0000593
Version
Author Claudine Herlan
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:06:45.007379
MetadataModified 2024-09-07T20:30:03.068384
MetadataPublished 2021-09-23
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
156599654 PubChem
The data in this table is sourced from UniChem at EBI.