Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C10H13N3/c1-10(2,3)8-4-6-9(7-5-8)12-13-11/h4-7H,1-3H3
SMILES CC(c1ccc(cc1)N=[N+]=[N-])(C)C
InChI Key FPTZBVJQJYUZKV-UHFFFAOYSA-N
Molecular Formula C10H13N3
Exact Mass 175.230 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FPTZBVJQJYUZKV-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/FPTZBVJQJYUZKV-UHFFFAOYSA-N/CHMO0000593
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-21
Related Molecule
  • 1-azido-4-tert-butylbenzene
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : Nov27-2023

    date : 20231127

    starting time : 11.06 h

    label : TIK-81

    id : 111628

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    13596743 surechembl
    20336103 pubchem
    Molport-013-262-512 molport
    The data in this table is sourced from UniChem at EBI.