Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C7H5ClN2/c8-7(9-10-7)6-4-2-1-3-5-6/h1-5H
SMILES ClC1(N=N1)c1ccccc1
InChI Key VWAYXULOLUTAHI-UHFFFAOYSA-N
Molecular Formula C7H5ClN2
Exact Mass 152.581 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VWAYXULOLUTAHI-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/VWAYXULOLUTAHI-UHFFFAOYSA-N/CHMO0000593
Version
Author Tilman Hans Köhler
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-21
Related Molecule
  • 3-chloro-3-phenyldiazirine
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : Jan04-2024

    date : 20240104

    starting time : 13.13 h

    label : KT-627

    id : 289345

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : Avance NEO

    Data-Source Molecule ID Data-Source
    15934683 PubChem: Thomson Pharma
    J315.103D Nikkaji
    10888109 PubChem
    The data in this table is sourced from UniChem at EBI.