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3-(4-Methylphenyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SpectraBase Compound ID 8Wfe4M7JDPR
InChI InChI=1S/C18H14N4S/c1-13-7-10-15(11-8-13)17-19-20-18-22(17)21-16(23-18)12-9-14-5-3-2-4-6-14/h2-12H,1H3/b12-9+
InChIKey IPOWOCNDDDUWSR-FMIVXFBMSA-N
Mol Weight 318.4 g/mol
Molecular Formula C18H14N4S
Exact Mass 318.093918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LvoXCEN0sKd
Name 3-(4-Methylphenyl)-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Alternate Name(s) [1,2,4]Triazolo[3,4-b][1,3,4]thiadiazole, 3-(4-methylphenyl)-6-(2-phenylethenyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14N4S
InChI InChI=1S/C18H14N4S/c1-13-7-10-15(11-8-13)17-19-20-18-22(17)21-16(23-18)12-9-14-5-3-2-4-6-14/h2-12H,1H3/b12-9+
InChIKey IPOWOCNDDDUWSR-FMIVXFBMSA-N
Molecular Weight 318.398 g/mol
SMILES c1ccc(\C=C\C2=N[n]3c(S2)nnc3-c2ccc(cc2)C)cc1
SPLASH splash10-014i-8900000000-720dad0c0635f84119b2
Source of Spectrum IY-2-4782-3
Wiley ID 1655806