Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C5H7N3/c1-4-2-3-7-5(6)8-4/h2-3H,1H3,(H2,6,7,8)
SMILES Cc1ccnc(n1)N
InChI Key GHCFWKFREBNSPC-UHFFFAOYSA-N
Molecular Formula C5H7N3
Exact Mass 109.129 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GHCFWKFREBNSPC-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/GHCFWKFREBNSPC-UHFFFAOYSA-N/CHMO0001150
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-15
Related Molecule
  • 4-methylpyrimidin-2-amine
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    XAQNUZ CCDC
    170014 ChEBI
    J79.446E Nikkaji
    ZINC000000404289 ZINC
    DTXSID90148349 EPA CompTox Dashboard
    ZEQ6ZS0OOC FDA SRS
    CB9394803 ChemicalBook
    SCHEMBL91470 SureChEMBL
    534500 eMolecules
    27677549 eMolecules
    16918483 PubChem: Thomson Pharma
    SCHEMBL16218788 SureChEMBL
    108-52-1 ACToR
    20045935 NMRShiftDB
    MCULE-5796368820 Mcule
    7939 PubChem
    The data in this table is sourced from UniChem at EBI.