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4-Isopropyl-3-[2-(acetyloxy)-2-(phenylthio)ethyl]-1-(pentafluorophenyl)-2-thioxoimidazol-5-one
SpectraBase Compound ID J9TsZTfAtUO
InChI InChI=1S/C22H19F5N2O3S2/c1-10(2)19-21(31)29(20-17(26)15(24)14(23)16(25)18(20)27)22(33)28(19)9-13(32-11(3)30)34-12-7-5-4-6-8-12/h4-8,10,13,19H,9H2,1-3H3
InChIKey PUQCFENGPRPROI-UHFFFAOYSA-N
Mol Weight 518.52 g/mol
Molecular Formula C22H19F5N2O3S2
Exact Mass 518.075726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ZpiStTwPKD
Name 4-Isopropyl-3-[2-(acetyloxy)-2-(phenylthio)ethyl]-1-(pentafluorophenyl)-2-thioxoimidazol-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19F5N2O3S2
InChI InChI=1S/C22H19F5N2O3S2/c1-10(2)19-21(31)29(20-17(26)15(24)14(23)16(25)18(20)27)22(33)28(19)9-13(32-11(3)30)34-12-7-5-4-6-8-12/h4-8,10,13,19H,9H2,1-3H3
InChIKey PUQCFENGPRPROI-UHFFFAOYSA-N
Molecular Weight 518.517 g/mol
SMILES C1(N(C(C(N1CC(OC(=O)C)Sc1ccccc1)C(C)C)=O)c1c(c(F)c(c(c1F)F)F)F)=S
SPLASH splash10-0mi2-0729310000-d32c5ee29021e178c19d
Source of Spectrum AT-35-3770-10
Synonyms 2-[5-isopropyl-4-oxo-3-(2,3,4,5,6-pentafluorophenyl)-2-thioxo-1-imidazolidinyl]-1-(phenylsulfanyl)ethyl acetate 3-Isopropyl-3-[2-(methoxycarbonyl)-2-(phenylthio)ethyl]-1-(pentafluorophenyl)-2-thioxoimidazol-5-one 4-Isopropyl-3-[2-(methoxycarbonyl)-2-(phenylthio)ethyl]-1-(pentafluorophenyl)-2-thioxoimidazol-5-one
Wiley ID 852791