For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
6-(4-(3-((4-(3-((4-Chlorophenoxy)methyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)phenoxy)-methyl)benzyloxy)phenyl)-3-((4-chlorophenoxy)methyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
SpectraBase Compound ID DKAYvscYSnx
InChI InChI=1S/C42H32Cl2N8O4S2/c43-31-8-16-35(17-9-31)55-23-39-45-47-41-51(39)49-37(25-57-41)29-4-12-33(13-5-29)53-21-27-2-1-3-28(20-27)22-54-34-14-6-30(7-15-34)38-26-58-42-48-46-40(52(42)50-38)24-56-36-18-10-32(44)11-19-36/h1-20H,21-26H2
InChIKey XABDPSIZMNXBPL-UHFFFAOYSA-N
Mol Weight 847.8 g/mol
Molecular Formula C42H32Cl2N8O4S2
Exact Mass 846.136499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Kw258YXbqgx
Name 6-(4-(3-((4-(3-((4-Chlorophenoxy)methyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)phenoxy)-methyl)benzyloxy)phenyl)-3-((4-chlorophenoxy)methyl)-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 846.136499286 u
Formula C42H32Cl2N8O4S2
InChI InChI=1S/C42H32Cl2N8O4S2/c43-31-8-16-35(17-9-31)55-23-39-45-47-41-51(39)49-37(25-57-41)29-4-12-33(13-5-29)53-21-27-2-1-3-28(20-27)22-54-34-14-6-30(7-15-34)38-26-58-42-48-46-40(52(42)50-38)24-56-36-18-10-32(44)11-19-36/h1-20H,21-26H2
InChIKey XABDPSIZMNXBPL-UHFFFAOYSA-N
Instrument Name GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2223
Molecular Weight 847.796 g/mol
SMILES C=1(N2C(=NN1)SCC(=N2)C1=CC=C(C=C1)OCC1=CC(=CC=C1)COC=1C=CC(=CC1)C1=NN2C(COC3=CC=C(C=C3)Cl)=NN=C2SC1)COC1=CC=C(C=C1)Cl
SPLASH splash10-0006-0090000000-18fcfd2149c15fd12481
Source of Spectrum Y-52-1425-5b (DOI: 10.1002/jhet.2223)
Wiley ID 1902520