Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C30H43N5/c1-19-12-14-23(29(3,4)5)26-21(19)17-34(32-26)28(25-11-9-10-16-31-25)35-18-22-20(2)13-15-24(27(22)33-35)30(6,7)8/h9-11,16-20,23-24,28H,12-15H2,1-8H3/t19-,20-,23-,24-/m0/s1
SMILES C[C@H]1CC[C@@H](c2c1cn(n2)C(n1cc2c(n1)[C@H](CC[C@@H]2C)C(C)(C)C)c1ccccn1)C(C)(C)C
InChI Key NWKTUCNDIPMMKM-TZYAJKAJSA-N
Molecular Formula C30H43N5
Exact Mass 473.696 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NWKTUCNDIPMMKM-TZYAJKAJSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/NWKTUCNDIPMMKM-TZYAJKAJSA-N/CHMO0000595
Version
Author Sonja Herres-Pawlis
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-10-16
Related Molecule
  • (4S,7R)-7-tert-butyl-2-[[(4S,7R)-7-tert-butyl-4-methyl-4,5,6,7-tetrahydroindazol-2-yl]-pyridin-2-ylmethyl]-4-methyl-4,5,6,7-tetrahydroindazole
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    156619348 PubChem
    The data in this table is sourced from UniChem at EBI.