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3'-Ethyl-5-methyl-2-(p-bromophenyl)-5'-thioxo-[4,4'-bis(1,2,4)-triazol]-3(1'H,2H)-one
SpectraBase Compound ID E5OeG4EUItm
InChI InChI=1S/C13H13BrN6OS/c1-3-11-15-16-12(22)20(11)19-8(2)17-18(13(19)21)10-6-4-9(14)5-7-10/h4-7H,3H2,1-2H3,(H,16,22)
InChIKey HJFLYQULAQYSJH-UHFFFAOYSA-N
Mol Weight 381.25 g/mol
Molecular Formula C13H13BrN6OS
Exact Mass 380.005493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5GVHRePAeG
Name 3'-Ethyl-5-methyl-2-(p-bromophenyl)-5'-thioxo-[4,4'-bis(1,2,4)-triazol]-3(1'H,2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13BrN6OS
InChI InChI=1S/C13H13BrN6OS/c1-3-11-15-16-12(22)20(11)19-8(2)17-18(13(19)21)10-6-4-9(14)5-7-10/h4-7H,3H2,1-2H3,(H,16,22)
InChIKey HJFLYQULAQYSJH-UHFFFAOYSA-N
Molecular Weight 381.252 g/mol
SMILES N1N=C(N(C1=S)N1C(N(c2ccc(cc2)Br)N=C1C)=O)CC
SPLASH splash10-001r-0912000000-1e1f214e77a5e8822155
Source of Spectrum QA-71-336-10
Wiley ID 1612099