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

*Links on SpectraBase are not permalinks.

6-(4-bromophenyl)-3-(3-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

View entire compound with spectra: 2 NMR

6-(4-bromophenyl)-3-(3-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SpectraBase Compound ID 7CAV0TluAd8
InChI InChI=1S/C17H13BrN4OS/c1-23-14-4-2-3-12(9-14)16-19-20-17-22(16)21-15(10-24-17)11-5-7-13(18)8-6-11/h2-9H,10H2,1H3
InChIKey FYDFYWUXJVPCDZ-UHFFFAOYSA-N
Mol Weight 401.28 g/mol
Molecular Formula C17H13BrN4OS
Exact Mass 399.999345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID L7Ze6wJ7znp
Name 6-(4-Bromophenyl)-3-(3-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-B][1,3,4]thiadiazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.999345228 u
Formula C17H13BrN4OS
InChI InChI=1S/C17H13BrN4OS/c1-23-14-4-2-3-12(9-14)16-19-20-17-22(16)21-15(10-24-17)11-5-7-13(18)8-6-11/h2-9H,10H2,1H3
InChIKey FYDFYWUXJVPCDZ-UHFFFAOYSA-N
Molecular Weight 401.282 g/mol
SMILES COC=1C=C(C=2N3N=C(C4=CC=C(C=C4)Br)CSC3=NN2)C=CC1