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[1,2,4]Triazolo[3,4-b][1,3,4]thiadiazole, 6-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-
SpectraBase Compound ID 84TvGWGPmuh
InChI InChI=1S/C16H9ClN4O2S/c17-11-4-1-9(2-5-11)14-18-19-16-21(14)20-15(24-16)10-3-6-12-13(7-10)23-8-22-12/h1-7H,8H2
InChIKey LBXGAEMFPTUXKC-UHFFFAOYSA-N
Mol Weight 356.79 g/mol
Molecular Formula C16H9ClN4O2S
Exact Mass 356.013474 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6erKADq6Zg7
Name [1,2,4]Triazolo[3,4-b][1,3,4]thiadiazole, 6-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H9ClN4O2S
InChI InChI=1S/C16H9ClN4O2S/c17-11-4-1-9(2-5-11)14-18-19-16-21(14)20-15(24-16)10-3-6-12-13(7-10)23-8-22-12/h1-7H,8H2
InChIKey LBXGAEMFPTUXKC-UHFFFAOYSA-N
Molecular Weight 356.787 g/mol
SMILES c1cc(-c2[n]3c(SC(=N3)c3cc4c(OCO4)cc3)nn2)ccc1Cl
SPLASH splash10-066r-3902000000-fce837d0e90d77aa72bb
Source of Spectrum IY-1-4619-0
Wiley ID 1654173