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3-(1-p-chlorophenyl-5-methyl-1,2,3-triazol-4-yl)-7H-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine

View entire compound with spectra: 1 MS (GC)

3-(1-p-chlorophenyl-5-methyl-1,2,3-triazol-4-yl)-7H-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine
SpectraBase Compound ID JpIKCwzUDgs
InChI InChI=1S/C13H10ClN7S/c1-8-11(12-17-18-13-21(12)15-6-7-22-13)16-19-20(8)10-4-2-9(14)3-5-10/h2-6H,7H2,1H3
InChIKey KKFFKENWWFOFQF-UHFFFAOYSA-N
Mol Weight 331.79 g/mol
Molecular Formula C13H10ClN7S
Exact Mass 331.040692 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 29GuspZUcaW
Name 3-(1-p-chlorophenyl-5-methyl-1,2,3-triazol-4-yl)-7H-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine
Alternate Name(s) 3-(1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10ClN7S
InChI InChI=1S/C13H10ClN7S/c1-8-11(12-17-18-13-21(12)15-6-7-22-13)16-19-20(8)10-4-2-9(14)3-5-10/h2-6H,7H2,1H3
InChIKey KKFFKENWWFOFQF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200000149
Molecular Weight 331.785 g/mol
SMILES c12SCC=N[n]2c(nn1)-c1nn[n](c1C)-c1ccc(cc1)Cl
SPLASH splash10-03fr-3921000000-3789aac3bf92a15d98bd
Source of Spectrum QA-47-1117-2b
Wiley ID 1795130