Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C 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/13C/MeOD/100
License URL
Source https://www.chemotion-repository.net/inchikey/HQMLIDZJXVVKCW-REOHCLBHSA-N/NMR/13C/MeOD/100
Version
Author Carmen Cardenal
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:42:56.763419
MetadataModified 2024-09-07T13:00:40.376330
MetadataPublished 2014-05-27
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000002046876 ZINC
66N PDBe
DTXSID60223470 EPA CompTox Dashboard
12954 Brenda
133494 Brenda
168582 Brenda
20327 Brenda
100027 Brenda
36626 Brenda
2870855 eMolecules
444939 PubChem
21217 ChEBI
14867141 PubChem: Thomson Pharma
GOD06L4T27 FDA SRS
MCULE-4716963408 Mcule
SCHEMBL43026 SureChEMBL
J353.751J Nikkaji
253690 Brenda
The data in this table is sourced from UniChem at EBI.