For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Propenone, 3-(5-chloro-2-benzothiazolylthio)-1-(4-methylphenyl)-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Propenone, 3-(5-chloro-2-benzothiazolylthio)-1-(4-methylphenyl)-
SpectraBase Compound ID FZyUyqx9nY1
InChI InChI=1S/C17H12ClNOS2/c1-11-2-4-12(5-3-11)15(20)8-9-21-17-19-14-10-13(18)6-7-16(14)22-17/h2-10H,1H3/b9-8+
InChIKey OYRWPXIESYDDHE-CMDGGOBGSA-N
Mol Weight 345.86 g/mol
Molecular Formula C17H12ClNOS2
Exact Mass 345.004884 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1SnTum1gXSm
Name Propenone, 3-(5-chloro-2-benzothiazolylthio)-1-(4-methylphenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 345.004884057 u
Formula C17H12ClNOS2
InChI InChI=1S/C17H12ClNOS2/c1-11-2-4-12(5-3-11)15(20)8-9-21-17-19-14-10-13(18)6-7-16(14)22-17/h2-10H,1H3/b9-8+
InChIKey OYRWPXIESYDDHE-CMDGGOBGSA-N
Molecular Weight 345.862 g/mol
SMILES CC1=CC=C(C=C1)C(\C=C\SC1=NC2=CC(Cl)=CC=C2S1)=O