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

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6-(4-bromophenyl)-3-(3-ethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SpectraBase Compound ID EnCeM0neSgb
InChI InChI=1S/C18H15BrN4OS/c1-2-24-15-5-3-4-13(10-15)17-20-21-18-23(17)22-16(11-25-18)12-6-8-14(19)9-7-12/h3-10H,2,11H2,1H3
InChIKey WKDOJPWFLPVIMK-UHFFFAOYSA-N
Mol Weight 415.31 g/mol
Molecular Formula C18H15BrN4OS
Exact Mass 414.014995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9E8jf3yumd8
Name 6-(4-Bromophenyl)-3-(3-ethoxyphenyl)-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 414.014995292 u
Formula C18H15BrN4OS
InChI InChI=1S/C18H15BrN4OS/c1-2-24-15-5-3-4-13(10-15)17-20-21-18-23(17)22-16(11-25-18)12-6-8-14(19)9-7-12/h3-10H,2,11H2,1H3
InChIKey WKDOJPWFLPVIMK-UHFFFAOYSA-N
Molecular Weight 415.309 g/mol
SMILES CCOC=1C=C(C=2N3N=C(C4=CC=C(C=C4)Br)CSC3=NN2)C=CC1