Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C28H35N5/c1-25(2)19-10-12-27(25,5)22-17(19)15-32(30-22)24(21-9-7-8-14-29-21)33-16-18-20-11-13-28(6,23(18)31-33)26(20,3)4/h7-9,14-16,19-20,24H,10-13H2,1-6H3/t19-,20-,27+,28+/m1/s1
SMILES CC1(C)[C@@H]2CC[C@@]1(C)c1c2cn(n1)C(n1cc2c(n1)[C@]1(C([C@@H]2CC1)(C)C)C)c1ccccn1
InChI Key KXRYDZCNUHBCQB-SJWRPRNESA-N
Molecular Formula C28H35N5
Exact Mass 441.611 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KXRYDZCNUHBCQB-SJWRPRNESA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/KXRYDZCNUHBCQB-SJWRPRNESA-N/CHMO0000595
Version
Author Sonja Herres-Pawlis
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-09-23
Related Molecule
  • (1R,7S)-1,10,10-trimethyl-4-[pyridin-2-yl-[(1R,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]methyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    156599675 pubchem
    The data in this table is sourced from UniChem at EBI.