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3-(4H-1,2,4-Triazol-3-ylsulfanyl)-1-[3-(trifluoromethyl)phenyl]-2,5-pyrrolidinedione
SpectraBase Compound ID 4wdwIrwAJ6O
InChI InChI=1S/C13H9F3N4O2S/c14-13(15,16)7-2-1-3-8(4-7)20-10(21)5-9(11(20)22)23-12-17-6-18-19-12/h1-4,6,9H,5H2,(H,17,18,19)
InChIKey QISLGJOKJJXJDX-UHFFFAOYSA-N
Mol Weight 342.3 g/mol
Molecular Formula C13H9F3N4O2S
Exact Mass 342.039831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IVU2lTHUXmg
Name 3-(4H-1,2,4-Triazol-3-ylsulfanyl)-1-[3-(trifluoromethyl)phenyl]-2,5-pyrrolidinedione
Alternate Name(s) 3-(1H-1,2,4-triazol-5-ylsulfanyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione 3-(1H-1,2,4-triazol-5-ylthio)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione 3-(1H-1,2,4-triazol-5-ylthio)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-quinone Pyrrolidine-2,5-dione, 1-(3-trifluoromethylphenyl)-3-(4H-1,2,4-triazol-3-ylthio)-
CAS Registry Number 351468-47-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9F3N4O2S
InChI InChI=1S/C13H9F3N4O2S/c14-13(15,16)7-2-1-3-8(4-7)20-10(21)5-9(11(20)22)23-12-17-6-18-19-12/h1-4,6,9H,5H2,(H,17,18,19)
InChIKey QISLGJOKJJXJDX-UHFFFAOYSA-N
Molecular Weight 342.296 g/mol
SMILES [nH]1c(nnc1)SC1C(N(C(C1)=O)c1cc(ccc1)C(F)(F)F)=O
SPLASH splash10-0udi-9810000000-729ec0f4737703ef8184
Source of Spectrum AD-0-2532-0
Wiley ID 1432063