Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C22H29N5O2/c1-21(2,3)17-11-13-26(24-17)19(27-14-12-18(25-27)22(4,5)6)15-9-8-10-16(23-15)20(28)29-7/h8-14,19H,1-7H3
SMILES COC(=O)c1cccc(n1)C(n1ccc(n1)C(C)(C)C)n1ccc(n1)C(C)(C)C
InChI Key TZHOOUXJQHQALI-UHFFFAOYSA-N
Molecular Formula C22H29N5O2
Exact Mass 395.498 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/TZHOOUXJQHQALI-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/TZHOOUXJQHQALI-UHFFFAOYSA-N/CHMO0000593
Version
Author Sonja Herres-Pawlis
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-09-17
Related Molecule
  • methyl 6-[bis(3-tert-butylpyrazol-1-yl)methyl]pyridine-2-carboxylate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    156598784 pubchem
    The data in this table is sourced from UniChem at EBI.