Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C20H20BrNO3/c21-16-8-4-9-17-15(16)12-18(19-10-5-11-24-19)22(17)20(23)25-13-14-6-2-1-3-7-14/h1-7,9-11,15-18H,8,12-13H2/t15-,16?,17+,18+/m1/s1
SMILES BrC1CC=C[C@H]2[C@@H]1C[C@H](N2C(=O)OCc1ccccc1)c1ccco1
InChI Key YZIVJRPJMXCFQS-VGKGQJMESA-N
Molecular Formula C20H20BrNO3
Exact Mass 402.282 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YZIVJRPJMXCFQS-VGKGQJMESA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/YZIVJRPJMXCFQS-VGKGQJMESA-N/NMR/13C/CDCl3/100
Version
Author Paul Sauter
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • benzyl (2S,3aS,7aS)-4-bromo-2-(furan-2-yl)-2,3,3a,4,5,7a-hexahydroindole-1-carboxylate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427491 pubchem
    The data in this table is sourced from UniChem at EBI.