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/C3H5N/c1-2-3-4/h1H,3-4H2
SMILES NCC#C
InChI Key JKANAVGODYYCQF-UHFFFAOYSA-N
Molecular Formula C3H5N
Exact Mass 55.078 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JKANAVGODYYCQF-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/JKANAVGODYYCQF-UHFFFAOYSA-N/CHMO0000595
Version
Author Helena Šimek Tosino
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:11:28.531877
MetadataModified 2024-09-08T03:11:28.531883
MetadataPublished 2024-03-20
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
CB9185137 ChemicalBook
DTXSID30862951 EPA CompTox Dashboard
HMDB0256820 Human Metabolome Database
147639 Brenda
J3.030I Nikkaji
ZINC000032098729 ZINC
CHEMBL3263480 ChEMBL
RRA PDBe
531122 eMolecules
15170318 PubChem: Thomson Pharma
2450-71-7 ACToR
20180299 NMRShiftDB
SCHEMBL1499 SureChEMBL
239041 PubChem
The data in this table is sourced from UniChem at EBI.