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3,6-bis(1-(4-ethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SpectraBase Compound ID L5mvFtmOGpa
InChI InChI=1S/C25H24N10O2S/c1-5-36-19-11-7-17(8-12-19)33-15(3)21(26-31-33)23-28-29-25-35(23)30-24(38-25)22-16(4)34(32-27-22)18-9-13-20(14-10-18)37-6-2/h7-14H,5-6H2,1-4H3
InChIKey BPKLMVAIVSMVQL-UHFFFAOYSA-N
Mol Weight 528.6 g/mol
Molecular Formula C25H24N10O2S
Exact Mass 528.180441 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GRJHP495tJc
Name 3,6-bis(1-(4-ethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H24N10O2S
InChI InChI=1S/C25H24N10O2S/c1-5-36-19-11-7-17(8-12-19)33-15(3)21(26-31-33)23-28-29-25-35(23)30-24(38-25)22-16(4)34(32-27-22)18-9-13-20(14-10-18)37-6-2/h7-14H,5-6H2,1-4H3
InChIKey BPKLMVAIVSMVQL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200500015
Molecular Weight 528.595 g/mol
SMILES c1(nn[n](c1C)-c1ccc(cc1)OCC)-c1nnc2[n]1N=C(S2)c1nn[n](c1C)-c1ccc(cc1)OCC
SPLASH splash10-0fka-9410020000-fee9b9c4f61a51e1edb3
Source of Spectrum QA-52-107-9h
Wiley ID 1796048