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3-(3,4,5-Trimethoxyphenylmethyl)-6-phenyl-7H-1,2,4-triazolo-[3,4-b]-1,3,4-thiadiazine

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3-(3,4,5-Trimethoxyphenylmethyl)-6-phenyl-7H-1,2,4-triazolo-[3,4-b]-1,3,4-thiadiazine
SpectraBase Compound ID GYDSVsjHwlX
InChI InChI=1S/C20H20N4O3S/c1-25-16-9-13(10-17(26-2)19(16)27-3)11-18-21-22-20-24(18)23-15(12-28-20)14-7-5-4-6-8-14/h4-10H,11-12H2,1-3H3
InChIKey BZJQWVVFORNLAN-UHFFFAOYSA-N
Mol Weight 396.47 g/mol
Molecular Formula C20H20N4O3S
Exact Mass 396.125612 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IH5s789OBpG
Name 3-(3,4,5-Trimethoxyphenylmethyl)-6-phenyl-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 396.125611691 u
Formula C20H20N4O3S
InChI InChI=1S/C20H20N4O3S/c1-25-16-9-13(10-17(26-2)19(16)27-3)11-18-21-22-20-24(18)23-15(12-28-20)14-7-5-4-6-8-14/h4-10H,11-12H2,1-3H3
InChIKey BZJQWVVFORNLAN-UHFFFAOYSA-N
Molecular Weight 396.465 g/mol
SMILES C1(=NN2C(SC1)=NN=C2CC1=CC(OC)=C(C(=C1)OC)OC)C1=CC=CC=C1