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3-(4-methylphenoxymethyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-d][1,3,4]thiadiazine

View entire compound with spectra: 2 NMR

3-(4-methylphenoxymethyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-d][1,3,4]thiadiazine
SpectraBase Compound ID HA8HOgoqpJL
InChI InChI=1S/C18H16N4OS/c1-13-7-9-15(10-8-13)23-11-17-19-20-18-22(17)21-16(12-24-18)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKey SODMPPIECDLFSZ-UHFFFAOYSA-N
Mol Weight 336.41 g/mol
Molecular Formula C18H16N4OS
Exact Mass 336.104482 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9PLRhZBYRZb
Name 3-(4-Methylphenoxymethyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-D][1,3,4]thiadiazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.104482324 u
Formula C18H16N4OS
InChI InChI=1S/C18H16N4OS/c1-13-7-9-15(10-8-13)23-11-17-19-20-18-22(17)21-16(12-24-18)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKey SODMPPIECDLFSZ-UHFFFAOYSA-N
Molecular Weight 336.413 g/mol
SMILES C1(=NN2C(SC1)=NN=C2COc1ccc(cc1)C)c1ccccc1