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

*Links on SpectraBase are not permalinks.
2-(p-Toluoylmethylthio]benzothiazole
SpectraBase Compound ID BKkBFlmRLxJ
InChI InChI=1S/C16H13NOS2/c1-11-6-8-12(9-7-11)14(18)10-19-16-17-13-4-2-3-5-15(13)20-16/h2-9H,10H2,1H3
InChIKey QNOVHTCEUMTCDF-UHFFFAOYSA-N
Mol Weight 299.41 g/mol
Molecular Formula C16H13NOS2
Exact Mass 299.043856 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 DL6g4JD5JYu
Name 2-(p-Toluoylmethylthio]benzothiazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 299.043856390 u
Formula C16H13NOS2
InChI InChI=1S/C16H13NOS2/c1-11-6-8-12(9-7-11)14(18)10-19-16-17-13-4-2-3-5-15(13)20-16/h2-9H,10H2,1H3
InChIKey QNOVHTCEUMTCDF-UHFFFAOYSA-N
Molecular Weight 299.406 g/mol
SMILES C12=CC=CC=C2SC(=N1)SCC(C1=CC=C(C)C=C1)=O