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/C14H19ClN2S2/c1-3-12(14-18-8-5-9-19-14)16-17-13-7-4-6-11(15)10(13)2/h4,6-7,14,17H,3,5,8-9H2,1-2H3/b16-12+
SMILES CC/C(=N\Nc1cccc(c1C)Cl)/C1SCCCS1
InChI Key DOOKAJSROQQPMC-FOWTUZBSSA-N
Molecular Formula C14H19ClN2S2
Exact Mass 314.897 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DOOKAJSROQQPMC-FOWTUZBSSA-N/NMR/13C/CDCL3/75
License URL
Source https://www.chemotion-repository.net/inchikey/DOOKAJSROQQPMC-FOWTUZBSSA-N/NMR/13C/CDCL3/75
Version
Author Bettina Stanek
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:46:33.506614
MetadataModified 2024-09-07T12:17:46.196964
MetadataPublished 2014-05-27
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
73427309 PubChem
The data in this table is sourced from UniChem at EBI.