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

*Links on SpectraBase are not permalinks.
2-chloro-N-{5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl}benzamide
SpectraBase Compound ID BuViGXkvtHn
InChI InChI=1S/C18H14ClN3O2S/c1-24-13-9-6-12(7-10-13)8-11-16-21-22-18(25-16)20-17(23)14-4-2-3-5-15(14)19/h2-11H,1H3,(H,20,22,23)/b11-8+
InChIKey DCJWMRSQLQLICY-DHZHZOJOSA-N
Mol Weight 371.84 g/mol
Molecular Formula C18H14ClN3O2S
Exact Mass 371.049526 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 7cAFu6eMRGS
Name 2-Chloro-N-{5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl}benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.049525575 u
Formula C18H14ClN3O2S
InChI InChI=1S/C18H14ClN3O2S/c1-24-13-9-6-12(7-10-13)8-11-16-21-22-18(25-16)20-17(23)14-4-2-3-5-15(14)19/h2-11H,1H3,(H,20,22,23)/b11-8+
InChIKey DCJWMRSQLQLICY-DHZHZOJOSA-N
Molecular Weight 371.842 g/mol
SMILES N(C(C=1C(Cl)=CC=CC1)=O)C=1SC(\C=C\C=2C=CC(=CC2)OC)=NN1