Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C12H13FN2S2/c1-9(12-16-7-2-8-17-12)14-15-11-5-3-10(13)4-6-11/h3-6H,2,7-8H2,1H3/b15-14+
SMILES Fc1ccc(cc1)/N=N/C(=C1SCCCS1)C
InChI Key VVQIMIBWQDHGRR-CCEZHUSRSA-N
Molecular Formula C12H13FN2S2
Exact Mass 268.373 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VVQIMIBWQDHGRR-CCEZHUSRSA-N/NMR/1H/CDCl3/400
License URL
Source https://www.chemotion-repository.net/inchikey/VVQIMIBWQDHGRR-CCEZHUSRSA-N/NMR/1H/CDCl3/400
Version
Author Bettina Stanek
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:22:10.863191
MetadataModified 2024-09-07T12:29:30.807821
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
No additional information available for this Dataset.