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1-Methyl-4-(2-phenylisopyopyl)cyclohex-3-yl 2-fluoro-2-(4-methoxyphenyl)ethanoate
SpectraBase Compound ID Fi9ptFRP194
InChI InChI=1S/C25H31FO3/c1-17-9-14-22(18(2)16-19-7-5-4-6-8-19)23(15-17)29-25(27)24(26)20-10-12-21(28-3)13-11-20/h4-8,10-13,17-18,22-24H,9,14-16H2,1-3H3
InChIKey IISRDGPSUVHJSF-UHFFFAOYSA-N
Mol Weight 398.52 g/mol
Molecular Formula C25H31FO3
Exact Mass 398.225723 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B8qDuHIHaZl
Name 1-Methyl-4-(2-phenylisopyopyl)cyclohex-3-yl 2-fluoro-2-(4-methoxyphenyl)ethanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31FO3
InChI InChI=1S/C25H31FO3/c1-17-9-14-22(18(2)16-19-7-5-4-6-8-19)23(15-17)29-25(27)24(26)20-10-12-21(28-3)13-11-20/h4-8,10-13,17-18,22-24H,9,14-16H2,1-3H3
InChIKey IISRDGPSUVHJSF-UHFFFAOYSA-N
Molecular Weight 398.518 g/mol
SMILES C(OC1C(C(Cc2ccccc2)C)CCC(C1)C)(C(c1ccc(cc1)OC)F)=O
SPLASH splash10-014i-2900000000-5ddeda31ae6393cd7b55
Source of Spectrum AT-31-3140-2
Synonyms 5-Methyl-2-(1-methyl-2-phenylethyl)cyclohexyl fluoro(4-methoxyphenyl)acetate
Wiley ID 835671