Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C25H29NO5/c1-25(2,3)31-23(27)18-11-7-12-20-19(18)15-21(22-13-8-14-29-22)26(20)24(28)30-16-17-9-5-4-6-10-17/h4-10,12-14,18-21H,11,15-16H2,1-3H3/t18-,19+,20-,21-/m0/s1
SMILES O=C([C@H]1CC=C[C@H]2[C@@H]1C[C@H](N2C(=O)OCc1ccccc1)c1ccco1)OC(C)(C)C
InChI Key XRGRZRGZGKIDIZ-WOZUAGRISA-N
Molecular Formula C25H29NO5
Exact Mass 423.501 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XRGRZRGZGKIDIZ-WOZUAGRISA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/XRGRZRGZGKIDIZ-WOZUAGRISA-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-tert-butyl (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
    73427494 pubchem
    The data in this table is sourced from UniChem at EBI.