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

View entire compound with spectra: 2 NMR

7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, 6-(4-bromophenyl)-3-[(4-fluorophenoxy)methyl]-
SpectraBase Compound ID AmwFL7RDPZ7
InChI InChI=1S/C17H12BrFN4OS/c18-12-3-1-11(2-4-12)15-10-25-17-21-20-16(23(17)22-15)9-24-14-7-5-13(19)6-8-14/h1-8H,9-10H2
InChIKey WLNPDGZNUQPNAI-UHFFFAOYSA-N
Mol Weight 419.27 g/mol
Molecular Formula C17H12BrFN4OS
Exact Mass 417.989923 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JI4FwwRkfYV
Name 7H-[1,2,4]Triazolo[3,4-B][1,3,4]thiadiazine, 6-(4-bromophenyl)-3-[(4-fluorophenoxy)methyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.989923358 u
Formula C17H12BrFN4OS
InChI InChI=1S/C17H12BrFN4OS/c18-12-3-1-11(2-4-12)15-10-25-17-21-20-16(23(17)22-15)9-24-14-7-5-13(19)6-8-14/h1-8H,9-10H2
InChIKey WLNPDGZNUQPNAI-UHFFFAOYSA-N
Molecular Weight 419.272 g/mol
SMILES C=1C=C(OCC=2N3N=C(C4=CC=C(C=C4)Br)CSC3=NN2)C=CC1F