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/C2H3N3O2/c3-5-4-1-2(6)7/h1H2,(H,6,7)
SMILES [N-]=[N+]=NCC(=O)O
InChI Key PPXUUPXQWDQNGO-UHFFFAOYSA-N
Molecular Formula C2H3N3O2
Exact Mass 101.064 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PPXUUPXQWDQNGO-UHFFFAOYSA-N/NMR/1H/CDCl3/250
License URL
Source https://www.chemotion-repository.net/inchikey/PPXUUPXQWDQNGO-UHFFFAOYSA-N/NMR/1H/CDCl3/250
Version
Author Daniela Althuon
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:35:54.901039
MetadataModified 2024-09-07T12:50:14.219394
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID60171760 EPA CompTox Dashboard
ZINC000095712778 ZINC
CB8434175 ChemicalBook
18523-48-3 ACToR
16876780 PubChem: Thomson Pharma
J82.761D Nikkaji
SCHEMBL120678 SureChEMBL
32442982 eMolecules
155605 PubChem
The data in this table is sourced from UniChem at EBI.