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3',5-Dimethyl-2-(p-chlorophenyl)-5'-thioxo-[4,4'-bis(1,2,4)-triazol]-3(1'H,2H)-one

View entire compound with spectra: 1 MS (GC)

3',5-Dimethyl-2-(p-chlorophenyl)-5'-thioxo-[4,4'-bis(1,2,4)-triazol]-3(1'H,2H)-one
SpectraBase Compound ID E0VNbOoGEHX
InChI InChI=1S/C12H11ClN6OS/c1-7-14-15-11(21)18(7)19-8(2)16-17(12(19)20)10-5-3-9(13)4-6-10/h3-6H,1-2H3,(H,15,21)
InChIKey AIOCKCAIONBKGV-UHFFFAOYSA-N
Mol Weight 322.77 g/mol
Molecular Formula C12H11ClN6OS
Exact Mass 322.040358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Uv88NeLmGy
Name 3',5-Dimethyl-2-(p-chlorophenyl)-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 C12H11ClN6OS
InChI InChI=1S/C12H11ClN6OS/c1-7-14-15-11(21)18(7)19-8(2)16-17(12(19)20)10-5-3-9(13)4-6-10/h3-6H,1-2H3,(H,15,21)
InChIKey AIOCKCAIONBKGV-UHFFFAOYSA-N
Molecular Weight 322.774 g/mol
SMILES N1N=C(N(C1=S)N1C(N(c2ccc(cc2)Cl)N=C1C)=O)C
SPLASH splash10-01w0-0902000000-af348c5dc82dd427581b
Source of Spectrum QA-71-335-10
Wiley ID 1612104