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1-Pentafluorophenyl-3-[(methoxycarbonyl)methyl]-2-thioxo-5-oxo-4-isopropyl-1,3-pehhydrodiazole
SpectraBase Compound ID GGWJLGDnq9U
InChI InChI=1S/C15H13F5N2O3S/c1-5(2)12-14(24)22(15(26)21(12)4-6(23)25-3)13-10(19)8(17)7(16)9(18)11(13)20/h5,12H,4H2,1-3H3
InChIKey PLRLUIORXZTFDZ-UHFFFAOYSA-N
Mol Weight 396.33 g/mol
Molecular Formula C15H13F5N2O3S
Exact Mass 396.056704 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1rCvJWfeS0
Name 1-Pentafluorophenyl-3-[(methoxycarbonyl)methyl]-2-thioxo-5-oxo-4-isopropyl-1,3-pehhydrodiazole
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Formula C15H13F5N2O3S
InChI InChI=1S/C15H13F5N2O3S/c1-5(2)12-14(24)22(15(26)21(12)4-6(23)25-3)13-10(19)8(17)7(16)9(18)11(13)20/h5,12H,4H2,1-3H3
InChIKey PLRLUIORXZTFDZ-UHFFFAOYSA-N
Molecular Weight 396.332 g/mol
SMILES C1(N(C(C(N1CC(=O)OC)C(C)C)=O)c1c(c(c(F)c(c1F)F)F)F)=S
SPLASH splash10-0f7k-5109000000-5d24765fd541895dd027
Source of Spectrum O-34-540-0
Synonyms N-(Carboxymethyl)valine- - (pentafluorophenyl)isothiocyanate - {(N(1)-(methoxycarbonyl)methyl], 3-isopropyl}- derivative (5-Isopropyl-4-oxo-3-pentafluorophenyl-2-thioxo-imidazolidin-1-yl)-acetic acid methyl ester 1-Pentafluorophenyl-3-[(methoxycarbonyl)methyl]-2-thioxo-4-oxo-5-isopropyl-1,3-dihydrodiazole 1-Pentafluorophenyl-3-[(methoxycarbonyl)methyl]-2-thioxo-4-oxo-5-isopropyl-1,3-pehhydrodiazole N-(methoxycarbonyl)valine- (pentafluorophenyl)isothiocyanate-derivative 1-Pentafluorophenyl-3-[(methoxycarbonyl)methyl]-2-thioxo-5-oxo-4-isopropyl-1,3-dihydrodiazole Methyl[5-isopropyl-4-oxo-3-(2,3,4,5,6-pentafluorophenyl)-2-thioxo-1-imidazolidinyl]acetate
Wiley ID 763502