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(1R,2S,5R)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl (R)-.alpha.-Hydroxy-.alpha.-[4-(fluoromethyl)phenyl]benzeneacetate (8-Phenylmenthyl (R)-4-(fluoromethyl)benzilate
SpectraBase Compound ID F03wq72o0H4
InChI InChI=1S/C31H35FO3/c1-22-14-19-27(30(2,3)24-10-6-4-7-11-24)28(20-22)35-29(33)31(34,25-12-8-5-9-13-25)26-17-15-23(21-32)16-18-26/h4-13,15-18,22,27-28,34H,14,19-21H2,1-3H3/t22-,27-,28-,31?/m1/s1
InChIKey SMZJMHLMTXGPTG-YUPCBWBRSA-N
Mol Weight 474.6 g/mol
Molecular Formula C31H35FO3
Exact Mass 474.257023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ZMg2JszwUq
Name (1R,2S,5R)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl (R)-.alpha.-Hydroxy-.alpha.-[4-(fluoromethyl)phenyl]benzeneacetate (8-Phenylmenthyl (R)-4-(fluoromethyl)benzilate
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Formula C31H35FO3
InChI InChI=1S/C31H35FO3/c1-22-14-19-27(30(2,3)24-10-6-4-7-11-24)28(20-22)35-29(33)31(34,25-12-8-5-9-13-25)26-17-15-23(21-32)16-18-26/h4-13,15-18,22,27-28,34H,14,19-21H2,1-3H3/t22-,27-,28-,31?/m1/s1
InChIKey SMZJMHLMTXGPTG-YUPCBWBRSA-N
Molecular Weight 474.616 g/mol
SMILES OC(C(O[C@]1([C@](C(c2ccccc2)(C)C)(CC[C@](C1)(C)[H])[H])[H])=O)(c1ccc(cc1)CF)c1ccccc1
SPLASH splash10-014i-0900000000-0936aed907c3e10f97cc
Source of Spectrum E1-38-1716-11
Wiley ID 1598295