Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C15H10ClF3S/c16-12-5-7-13(8-6-12)20-14-4-2-1-3-11(14)9-10-15(17,18)19/h1-10H
SMILES Clc1ccc(cc1)Sc1ccccc1C=CC(F)(F)F
InChI Key YAZRSXWXYLFFCR-UHFFFAOYSA-N
Molecular Formula C15H10ClF3S
Exact Mass 314.753 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YAZRSXWXYLFFCR-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/YAZRSXWXYLFFCR-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 1-chloro-4-[2-(3,3,3-trifluoroprop-1-enyl)phenyl]sulfanylbenzene
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427426 pubchem
    The data in this table is sourced from UniChem at EBI.