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6-(1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-3-(1-(4-ethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

View entire compound with spectra: 1 MS (GC)

6-(1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-3-(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 626fnvd5hyz
InChI InChI=1S/C23H19BrN10OS/c1-4-35-18-11-9-17(10-12-18)32-13(2)19(25-30-32)21-27-28-23-34(21)29-22(36-23)20-14(3)33(31-26-20)16-7-5-15(24)6-8-16/h5-12H,4H2,1-3H3
InChIKey XXNVRJONIRAEBB-UHFFFAOYSA-N
Mol Weight 563.44 g/mol
Molecular Formula C23H19BrN10OS
Exact Mass 562.064739 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9I0DFsRR0a3
Name 6-(1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-3-(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 C23H19BrN10OS
InChI InChI=1S/C23H19BrN10OS/c1-4-35-18-11-9-17(10-12-18)32-13(2)19(25-30-32)21-27-28-23-34(21)29-22(36-23)20-14(3)33(31-26-20)16-7-5-15(24)6-8-16/h5-12H,4H2,1-3H3
InChIKey XXNVRJONIRAEBB-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200500015
Molecular Weight 563.438 g/mol
SMILES c1(nn[n](c1C)-c1ccc(cc1)OCC)-c1nnc2[n]1N=C(S2)c1nn[n](c1C)-c1ccc(cc1)Br
SPLASH splash10-0ac4-9200010000-637ec95fac5d15d919ee
Source of Spectrum QA-52-107-9d
Wiley ID 1796044