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(1R,2S)trans-2-Phenylcyclohexyl 2-Eethoxyphenylacetate
SpectraBase Compound ID AsWLpWFNJw5
InChI InChI=1S/C22H26O3/c1-2-24-21(18-13-7-4-8-14-18)22(23)25-20-16-10-9-15-19(20)17-11-5-3-6-12-17/h3-8,11-14,19-21H,2,9-10,15-16H2,1H3/t19-,20+,21?/m0/s1
InChIKey FJGGSNBTVKJKGB-MCOCGALXSA-N
Mol Weight 338.45 g/mol
Molecular Formula C22H26O3
Exact Mass 338.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gi11hnngkAn
Name (1R,2S)trans-2-Phenylcyclohexyl 2-Eethoxyphenylacetate
Alternate Name(s) (1R,2S)-2-phenylcyclohexyl (2-ethoxyphenyl)acetate Ethoxy-phenyl-acetic acid (1R,2S)-2-phenyl-cyclohexyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C22H26O3
InChI InChI=1S/C22H26O3/c1-2-24-21(18-13-7-4-8-14-18)22(23)25-20-16-10-9-15-19(20)17-11-5-3-6-12-17/h3-8,11-14,19-21H,2,9-10,15-16H2,1H3/t19-,20+,21?/m0/s1
InChIKey FJGGSNBTVKJKGB-MCOCGALXSA-N
Molecular Weight 338.447 g/mol
SMILES C(O[C@]1([C@](c2ccccc2)(CCCC1)[H])[H])(C(c1ccccc1)OCC)=O
SPLASH splash10-0a4i-0900000000-cb81ed27439b66c4f4ec
Source of Spectrum J-60-4457-7
Wiley ID 1334145