Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Info

molecular Image
InChI InChI=1S/C9H12N2O2/c1-10(2)7-8-5-3-4-6-9(8)11(12)13/h3-6H,7H2,1-2H3
SMILES CN(Cc1ccccc1[N+](=O)[O-])C
InChI Key FCAMUPIRWKNASD-UHFFFAOYSA-N
Molecular Formula C9H12N2O2
Exact Mass 180.204 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FCAMUPIRWKNASD-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/FCAMUPIRWKNASD-UHFFFAOYSA-N/CHMO0000593
Version
Author Sonja Herres-Pawlis
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:40:23.660001
MetadataModified 2024-09-07T17:17:48.183551
MetadataPublished 2020-02-28
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL250143 SureChEMBL
420851 PubChem
ZINC000001716744 ZINC
The data in this table is sourced from UniChem at EBI.