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4H-1,2,4-Triazole, 3-(2,3-dibromopropylthio)-5-phenyl-
SpectraBase Compound ID K0JEcQnHXBO
InChI InChI=1S/C11H11Br2N3S/c12-6-9(13)7-17-11-14-10(15-16-11)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,14,15,16)
InChIKey JKLKWILJYMWZQI-UHFFFAOYSA-N
Mol Weight 377.1 g/mol
Molecular Formula C11H11Br2N3S
Exact Mass 374.904045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Cu6kiBBPGp
Name 4H-1,2,4-Triazole, 3-(2,3-dibromopropylthio)-5-phenyl-
Alternate Name(s) 3-(2,3-dibromopropylsulfanyl)-5-phenyl-1H-1,2,4-triazole 3-(2,3-dibromopropylthio)-5-phenyl-1H-1,2,4-triazole 3-[(2,3-Dibromopropyl)sulfanyl]-5-phenyl-4H-1,2,4-triazole 3-[2,3-bis(bromanyl)propylsulfanyl]-5-phenyl-1H-1,2,4-triazole
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Formula C11H11Br2N3S
InChI InChI=1S/C11H11Br2N3S/c12-6-9(13)7-17-11-14-10(15-16-11)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,14,15,16)
InChIKey JKLKWILJYMWZQI-UHFFFAOYSA-N
Molecular Weight 377.098 g/mol
SMILES [nH]1c(nnc1-c1ccccc1)SCC(Br)CBr
SPLASH splash10-0f92-7961000000-2e813c39096d94a0a8d1
Source of Spectrum AD-0-2532-0
Wiley ID 1431029