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3-(4-tert-butylphenyl)-6-(2-naphthyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

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3-(4-tert-butylphenyl)-6-(2-naphthyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SpectraBase Compound ID EscBOqf41gN
InChI InChI=1S/C24H22N4S/c1-24(2,3)20-12-10-17(11-13-20)22-25-26-23-28(22)27-21(15-29-23)19-9-8-16-6-4-5-7-18(16)14-19/h4-14H,15H2,1-3H3
InChIKey ACUXRZRRBTUTJC-UHFFFAOYSA-N
Mol Weight 398.53 g/mol
Molecular Formula C24H22N4S
Exact Mass 398.156518 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AfLBVby2jR6
Name 3-(4-Tert-butylphenyl)-6-(2-naphthyl)-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 398.156517898 u
Formula C24H22N4S
InChI InChI=1S/C24H22N4S/c1-24(2,3)20-12-10-17(11-13-20)22-25-26-23-28(22)27-21(15-29-23)19-9-8-16-6-4-5-7-18(16)14-19/h4-14H,15H2,1-3H3
InChIKey ACUXRZRRBTUTJC-UHFFFAOYSA-N
Molecular Weight 398.528 g/mol
SMILES C1=CC2=CC=C(C3=NN4C(=NN=C4SC3)C3=CC=C(C(C)(C)C)C=C3)C=C2C=C1