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/C10H10ClN3O/c1-2-5-14-10(15)8-6-7(11)3-4-9(8)12-13-14/h3-4,6H,2,5H2,1H3
SMILES CCCn1nnc2c(c1=O)cc(cc2)Cl
InChI Key HNPUUHPCSYREAP-UHFFFAOYSA-N
Molecular Formula C10H10ClN3O
Exact Mass 223.659 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HNPUUHPCSYREAP-UHFFFAOYSA-N/NMR/13C/CDCl3/75.1
License URL
Source https://www.chemotion-repository.net/inchikey/HNPUUHPCSYREAP-UHFFFAOYSA-N/NMR/13C/CDCl3/75.1
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:24:27.238404
MetadataModified 2024-09-07T13:52:21.787766
MetadataPublished 2014-09-24
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
70810116 PubChem
DTXSID50744028 EPA CompTox Dashboard
SCHEMBL12963517 SureChEMBL
The data in this table is sourced from UniChem at EBI.