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3'-Ethyl-5-methyl-2-phenyl-5'-thioxo-[4,4'-bis(1,2,4)-triazol]-3(1'H,2H)-one

View entire compound with spectra: 1 MS (GC)

3'-Ethyl-5-methyl-2-phenyl-5'-thioxo-[4,4'-bis(1,2,4)-triazol]-3(1'H,2H)-one
SpectraBase Compound ID GozJHyc97qr
InChI InChI=1S/C13H14N6OS/c1-3-11-14-15-12(21)19(11)18-9(2)16-17(13(18)20)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,15,21)
InChIKey SKVQIPDSBXWJJA-UHFFFAOYSA-N
Mol Weight 302.36 g/mol
Molecular Formula C13H14N6OS
Exact Mass 302.09498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1pEtwkajyf1
Name 3'-Ethyl-5-methyl-2-phenyl-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 C13H14N6OS
InChI InChI=1S/C13H14N6OS/c1-3-11-14-15-12(21)19(11)18-9(2)16-17(13(18)20)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,15,21)
InChIKey SKVQIPDSBXWJJA-UHFFFAOYSA-N
Molecular Weight 302.356 g/mol
SMILES N1N=C(N(C1=S)N1C(N(c2ccccc2)N=C1C)=O)CC
SPLASH splash10-0a6r-1902000000-fd0754df500d22e9a21b
Source of Spectrum QA-71-335-10
Wiley ID 1612102