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3-(2-Chlorophenyl)-6-phenethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SpectraBase Compound ID Di2Vu4MnDJg
InChI InChI=1S/C17H13ClN4S/c18-14-9-5-4-8-13(14)16-19-20-17-22(16)21-15(23-17)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKey HKUPKSIPQYZAGG-UHFFFAOYSA-N
Mol Weight 340.83 g/mol
Molecular Formula C17H13ClN4S
Exact Mass 340.054945 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HBSgl5Gb1M
Name 3-(2-Chlorophenyl)-6-phenethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13ClN4S
InChI InChI=1S/C17H13ClN4S/c18-14-9-5-4-8-13(14)16-19-20-17-22(16)21-15(23-17)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKey HKUPKSIPQYZAGG-UHFFFAOYSA-N
Instrument Name Varian MAT 311A or HP6890 series
Ionization Type EI
Literature Reference DOI 10.1021/jm801399r
Molecular Weight 340.832 g/mol
Reported Formula C17H13ClN4S
SMILES c1(Cl)c(cccc1)-c1nnc2SC(=N[n]12)CCc1ccccc1
SPLASH splash10-0006-5309000000-30b60cbf5edc0a9d6c5c
Source of Spectrum AF-52-4207-22
Wiley ID 1873607