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2-Methyl-5-[1'-methyl-1'-methoxycarbonyl-1'-(pentafliuorophenylmethyl)methyl]cyclohexene
SpectraBase Compound ID 2ddaX3f1UZH
InChI InChI=1S/C18H19F5O2/c1-9-4-6-10(7-5-9)18(2,17(24)25-3)8-11-12(19)14(21)16(23)15(22)13(11)20/h4,10H,5-8H2,1-3H3/t10-,18-/m0/s1
InChIKey LWJGJTIGHNXICE-YPMLDQLKSA-N
Mol Weight 362.34 g/mol
Molecular Formula C18H19F5O2
Exact Mass 362.130521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7TELwpvsxM8
Name 2-Methyl-5-[1'-methyl-1'-methoxycarbonyl-1'-(pentafliuorophenylmethyl)methyl]cyclohexene
Alternate Name(s) (S)-2-Methyl-2-((R)-4-methyl-cyclohex-3-enyl)-3-pentafluorophenyl-propionic acid methyl ester
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Formula C18H19F5O2
InChI InChI=1S/C18H19F5O2/c1-9-4-6-10(7-5-9)18(2,17(24)25-3)8-11-12(19)14(21)16(23)15(22)13(11)20/h4,10H,5-8H2,1-3H3/t10-,18-/m0/s1
InChIKey LWJGJTIGHNXICE-YPMLDQLKSA-N
Molecular Weight 362.340 g/mol
SMILES c1(c(c(F)c(c(c1F)F)F)F)C[C@](C(=O)OC)([C@]1(CC=C(CC1)C)[H])C
SPLASH splash10-066s-9400000000-f11fa46ea282057224f3
Source of Spectrum F-54-13863-25
Wiley ID 809527