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/C3H8N2O/c1-2(4)3(5)6/h2H,4H2,1H3,(H2,5,6)/t2-/m0/s1
SMILES NC(=O)[C@@H](N)C
InChI Key HQMLIDZJXVVKCW-REOHCLBHSA-N
Molecular Formula C3H8N2O
Exact Mass 88.108 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HQMLIDZJXVVKCW-REOHCLBHSA-N/NMR/1H/MeOD/300
License URL
Source https://www.chemotion-repository.net/inchikey/HQMLIDZJXVVKCW-REOHCLBHSA-N/NMR/1H/MeOD/300
Version
Author Carmen Cardenal
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:42:52.007475
MetadataModified 2024-09-07T13:00:31.531886
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-4716963408 Mcule
SCHEMBL43026 SureChEMBL
253690 Brenda
J353.751J Nikkaji
DTXSID60223470 EPA CompTox Dashboard
66N PDBe
20327 Brenda
100027 Brenda
168582 Brenda
36626 Brenda
12954 Brenda
133494 Brenda
ZINC000002046876 ZINC
2870855 eMolecules
444939 PubChem
21217 ChEBI
14867141 PubChem: Thomson Pharma
GOD06L4T27 FDA SRS
The data in this table is sourced from UniChem at EBI.