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4-Allyl-5-(2-chlorophenyl)-2-(7,8-dioxabicyclo[3.2.1]octan-4-yl)-1,2,4-triazole-3-thione
SpectraBase Compound ID 5oJnavf4fyA
InChI InChI=1S/C17H18ClN3O2S/c1-2-9-20-16(11-5-3-4-6-12(11)18)19-21(17(20)24)13-7-8-15-22-10-14(13)23-15/h2-6,13-15H,1,7-10H2
InChIKey NSQTYYBKUNIREJ-UHFFFAOYSA-N
Mol Weight 363.86 g/mol
Molecular Formula C17H18ClN3O2S
Exact Mass 363.080826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KLJGALxMlWz
Name 4-Allyl-5-(2-chlorophenyl)-2-(7,8-dioxabicyclo[3.2.1]octan-4-yl)-1,2,4-triazole-3-thione
Alternate Name(s) 5-(2-Chlorophenyl)-2-(7,8-dioxabicyclo[3.2.1]octan-4-yl)-4-prop-2-enyl-1,2,4-triazole-3-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18ClN3O2S
InChI InChI=1S/C17H18ClN3O2S/c1-2-9-20-16(11-5-3-4-6-12(11)18)19-21(17(20)24)13-7-8-15-22-10-14(13)23-15/h2-6,13-15H,1,7-10H2
InChIKey NSQTYYBKUNIREJ-UHFFFAOYSA-N
Molecular Weight 363.863 g/mol
SMILES c1ccc(C2=NN(C(N2CC=C)=S)C2C3OC(CC2)OC3)c(Cl)c1
SPLASH splash10-0uec-9486000000-d18d2ac9f8a8bd309a4d
Wiley ID 1442238