Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C27H25NO5/c29-26(33-20-11-5-2-6-12-20)21-13-7-14-23-22(21)17-24(25-15-8-16-31-25)28(23)27(30)32-18-19-9-3-1-4-10-19/h1-12,14-16,21-24H,13,17-18H2/t21-,22+,23-,24-/m0/s1
SMILES O=C(N1[C@H]2C=CC[C@@H]([C@H]2C[C@H]1c1ccco1)C(=O)Oc1ccccc1)OCc1ccccc1
InChI Key ULZNCKZFBIKUQU-KIHHCIJBSA-N
Molecular Formula C27H25NO5
Exact Mass 443.491 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ULZNCKZFBIKUQU-KIHHCIJBSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/ULZNCKZFBIKUQU-KIHHCIJBSA-N/NMR/13C/CDCl3/100
Version
Author Paul Sauter
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 1-O-benzyl 4-O-phenyl (2S,3aR,4S,7aS)-2-(furan-2-yl)-2,3,3a,4,5,7a-hexahydroindole-1,4-dicarboxylate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427495 pubchem
    The data in this table is sourced from UniChem at EBI.