Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C11H16N4O2/c1-13(2)11(14(3)4)12-9-7-5-6-8-10(9)15(16)17/h5-8H,1-4H3
SMILES CN(C(=Nc1ccccc1[N+](=O)[O-])N(C)C)C
InChI Key OHWDGGOICARBMA-UHFFFAOYSA-N
Exact Mass 236.270 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OHWDGGOICARBMA-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/OHWDGGOICARBMA-UHFFFAOYSA-N/CHMO0000593
Version
Author Sonja Herres-Pawlis
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-07-02
Related Molecule
  • 1,1,3,3-tetramethyl-2-(2-nitrophenyl)guanidine
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : NH-01-8

    date : 20210421

    starting time : 15.04 h

    label : CCO-804

    id : 31431

    Solvent : chloroform-D1 (CDCl3)

    temperature : 299.4 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    57182193 PubChem
    The data in this table is sourced from UniChem at EBI.