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(6Z)-6-benzylidene-3-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-5(6H)-one
SpectraBase Compound ID HCNKWeAGBuX
InChI InChI=1S/C20H17N3O4S/c1-25-14-10-13(11-15(26-2)17(14)27-3)18-21-22-20-23(18)19(24)16(28-20)9-12-7-5-4-6-8-12/h4-11H,1-3H3/b16-9-
InChIKey MHIFPVMIXZPSII-SXGWCWSVSA-N
Mol Weight 395.43 g/mol
Molecular Formula C20H17N3O4S
Exact Mass 395.093977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ej6DcEk7XFc
Name (6Z)-6-Benzylidene-3-(3,4,5-trimethoxyphenyl)[1,3]thiazolo[2,3-C][1,2,4]triazol-5(6H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.093977209 u
Formula C20H17N3O4S
InChI InChI=1S/C20H17N3O4S/c1-25-14-10-13(11-15(26-2)17(14)27-3)18-21-22-20-23(18)19(24)16(28-20)9-12-7-5-4-6-8-12/h4-11H,1-3H3/b16-9-
InChIKey MHIFPVMIXZPSII-SXGWCWSVSA-N
Molecular Weight 395.433 g/mol
SMILES C1=CC=C(\C=C\2C(N3C(=NN=C3C3=CC(OC)=C(C(=C3)OC)OC)S2)=O)C=C1