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1,4-Bis{2-(3-phenyl-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4(8H)-on-7-yl)phenoxy}butane
SpectraBase Compound ID CUbRuPz6WS4
InChI InChI=1S/C38H30N8O4S2/c47-35-33(25-13-3-1-4-14-25)39-41-37-45(35)43-29(23-51-37)27-17-7-9-19-31(27)49-21-11-12-22-50-32-20-10-8-18-28(32)30-24-52-38-42-40-34(36(48)46(38)44-30)26-15-5-2-6-16-26/h1-10,13-20H,11-12,21-24H2
InChIKey XPJWTSHBXVTBFK-UHFFFAOYSA-N
Mol Weight 726.8 g/mol
Molecular Formula C38H30N8O4S2
Exact Mass 726.183144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4gKz0QNwWOa
Name 1,4-Bis{2-(3-phenyl-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4(8H)-on-7-yl)phenoxy}butane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H30N8O4S2
InChI InChI=1S/C38H30N8O4S2/c47-35-33(25-13-3-1-4-14-25)39-41-37-45(35)43-29(23-51-37)27-17-7-9-19-31(27)49-21-11-12-22-50-32-20-10-8-18-28(32)30-24-52-38-42-40-34(36(48)46(38)44-30)26-15-5-2-6-16-26/h1-10,13-20H,11-12,21-24H2
InChIKey XPJWTSHBXVTBFK-UHFFFAOYSA-N
Molecular Weight 726.830 g/mol
SMILES C(CCCOc1c(cccc1)C1=NN2C(SC1)=NN=C(C2=O)c1ccccc1)Oc1c(cccc1)C1=NN2C(SC1)=NN=C(C2=O)c1ccccc1
SPLASH splash10-0ufr-4900000000-030bb275af0b6278c809
Source of Spectrum Y-49-644-14c
Synonyms 7-[2-[4-[2-(4-oxo-3-phenyl-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-7-yl)phenoxy]butoxy]phenyl]-3-phenyl-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one 7-[2-[4-[2-(4-oxidanylidene-3-phenyl-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-7-yl)phenoxy]butoxy]phenyl]-3-phenyl-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one
Wiley ID 1716692