Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)\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/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/JKANAVGODYYCQF-UHFFFAOYSA-N/CHMO0001150
Version
Author Helena Šimek Tosino
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:11:34.556667
MetadataModified 2024-09-08T03:11:34.556672
MetadataPublished 2024-03-20
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000032098729 ZINC
CB9185137 ChemicalBook
DTXSID30862951 EPA CompTox Dashboard
147639 Brenda
RRA PDBe
531122 eMolecules
15170318 PubChem: Thomson Pharma
2450-71-7 ACToR
J3.030I Nikkaji
HMDB0256820 Human Metabolome Database
SCHEMBL1499 SureChEMBL
20180299 NMRShiftDB
CHEMBL3263480 ChEMBL
239041 PubChem
The data in this table is sourced from UniChem at EBI.