Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C30H44N4O2/c1-19(2)33(20(3)4)29(35)31-27-17-23-9-13-25(27)15-11-24-10-14-26(16-12-23)28(18-24)32-30(36)34(21(5)6)22(7)8/h9-10,13-14,17-22H,11-12,15-16H2,1-8H3,(H,31,35)(H,32,36)
SMILES CC(N(C(=O)Nc1cc2CCc3ccc(CCc1cc2)cc3NC(=O)N(C(C)C)C(C)C)C(C)C)C
InChI Key SYLHUQHUTGQNDF-UHFFFAOYSA-N
Molecular Formula C30H44N4O2
Exact Mass 492.696 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SYLHUQHUTGQNDF-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/SYLHUQHUTGQNDF-UHFFFAOYSA-N/CHMO0000595
Version
Author Christoph Zippel
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-01-10
Related Molecule
  • 3-[11-[di(propan-2-yl)carbamoylamino]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-1,1-di(propan-2-yl)urea
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    162394342 PubChem
    The data in this table is sourced from UniChem at EBI.