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6-(4-(3-((4-(3-Phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)phenoxymethyl)-benzyloxy)-phenyl)-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]-thiadiazine

View entire compound with spectra: 1 MS (GC)

6-(4-(3-((4-(3-Phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)phenoxymethyl)-benzyloxy)-phenyl)-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]-thiadiazine
SpectraBase Compound ID DGN43dOfU2F
InChI InChI=1S/C40H30N8O2S2/c1-3-10-31(11-4-1)37-41-43-39-47(37)45-35(25-51-39)29-14-18-33(19-15-29)49-23-27-8-7-9-28(22-27)24-50-34-20-16-30(17-21-34)36-26-52-40-44-42-38(48(40)46-36)32-12-5-2-6-13-32/h1-22H,23-26H2
InChIKey CUNKKVUBKVHFBR-UHFFFAOYSA-N
Mol Weight 718.9 g/mol
Molecular Formula C40H30N8O2S2
Exact Mass 718.193315 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 768EqhZrI2G
Name 6-(4-(3-((4-(3-Phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)phenoxymethyl)-benzyloxy)-phenyl)-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]-thiadiazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 718.193314584 u
Formula C40H30N8O2S2
InChI InChI=1S/C40H30N8O2S2/c1-3-10-31(11-4-1)37-41-43-39-47(37)45-35(25-51-39)29-14-18-33(19-15-29)49-23-27-8-7-9-28(22-27)24-50-34-20-16-30(17-21-34)36-26-52-40-44-42-38(48(40)46-36)32-12-5-2-6-13-32/h1-22H,23-26H2
InChIKey CUNKKVUBKVHFBR-UHFFFAOYSA-N
Instrument Name GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2223
Molecular Weight 718.854 g/mol
Quality 17
SMILES C=1(N2C(=NN1)SCC(=N2)C1=CC=C(C=C1)OCC1=CC(=CC=C1)COC=1C=CC(=CC1)C1=NN2C(C3=CC=CC=C3)=NN=C2SC1)C1=CC=CC=C1
SPLASH splash10-0fvi-0940000000-ccd5138b8975de7a9d71
Source of Spectrum Y-52-1425-5a (DOI: 10.1002/jhet.2223)
Wiley ID 1902519