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5-Isopropyl-1-phenyl-3-pentafluorophenyl-2-thiohydantoin
SpectraBase Compound ID 6jlbq7u5Ivh
InChI InChI=1S/C18H13F5N2OS/c1-8(2)15-17(26)25(18(27)24(15)9-6-4-3-5-7-9)16-13(22)11(20)10(19)12(21)14(16)23/h3-8,15H,1-2H3
InChIKey QJTUTRMTNIKQTA-UHFFFAOYSA-N
Mol Weight 400.37 g/mol
Molecular Formula C18H13F5N2OS
Exact Mass 400.066875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ev5A51JJpst
Name 5-Isopropyl-1-phenyl-3-pentafluorophenyl-2-thiohydantoin
Alternate Name(s) 5-isopropyl-3-(2,3,4,5,6-pentafluorophenyl)-1-phenyl-2-thioxo-4-imidazolidinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13F5N2OS
InChI InChI=1S/C18H13F5N2OS/c1-8(2)15-17(26)25(18(27)24(15)9-6-4-3-5-7-9)16-13(22)11(20)10(19)12(21)14(16)23/h3-8,15H,1-2H3
InChIKey QJTUTRMTNIKQTA-UHFFFAOYSA-N
Molecular Weight 400.367 g/mol
SMILES C1(N(C(C(N1c1ccccc1)C(C)C)=O)c1c(c(F)c(c(c1F)F)F)F)=S
SPLASH splash10-0zfr-0029800000-cf3ac38826d1f776a67b
Source of Spectrum SB-47-815-12
Wiley ID 1369237