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(1R,4S)-4-(perfluorophenyl)cyclohex-2-en-1-carboxylic acid methyl ester
SpectraBase Compound ID GtoQXzSJ6RH
InChI InChI=1S/C14H11F5O2/c1-21-14(20)7-4-2-6(3-5-7)8-9(15)11(17)13(19)12(18)10(8)16/h2,4,6-7H,3,5H2,1H3/t6-,7+/m1/s1
InChIKey LGKYUAYYXHVJKF-RQJHMYQMSA-N
Mol Weight 306.23 g/mol
Molecular Formula C14H11F5O2
Exact Mass 306.06792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7BiCh6vzNyN
Name (1R,4S)-4-(perfluorophenyl)cyclohex-2-en-1-carboxylic acid methyl ester
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Formula C14H11F5O2
InChI InChI=1S/C14H11F5O2/c1-21-14(20)7-4-2-6(3-5-7)8-9(15)11(17)13(19)12(18)10(8)16/h2,4,6-7H,3,5H2,1H3/t6-,7+/m1/s1
InChIKey LGKYUAYYXHVJKF-RQJHMYQMSA-N
Molecular Weight 306.232 g/mol
SMILES c1(c(c(F)c(c(c1F)F)F)F)[C@@]1(C=C[C@](C(=O)OC)(CC1)[H])[H]
SPLASH splash10-0532-9560000000-cfd3e5f358df43a195cf
Source of Spectrum F-54-13860-12
Synonyms Methyl (1R,4S)-4-(2,3,4,5,6-pentafluorophenyl)-2-cyclohexene-1-carboxylate Methyl 4-(perfluorophenyl)cyclohex-2-en-1-carboxylate
Wiley ID 809538