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Ethyl trans-4-(o-tolyl)cyclohexane carboxylate
SpectraBase Compound ID KDBbAE7BoZr
InChI InChI=1S/C16H22O2/c1-3-18-16(17)14-10-8-13(9-11-14)15-7-5-4-6-12(15)2/h4-7,13-14H,3,8-11H2,1-2H3/t13-,14-
InChIKey WBTKQTIJHLGIST-HDJSIYSDSA-N
Mol Weight 246.35 g/mol
Molecular Formula C16H22O2
Exact Mass 246.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hy5yfWwSAQs
Name Ethyl trans-4-(o-tolyl)cyclohexane carboxylate
Alternate Name(s) (1r,4r)-ethyl 4-(o-tolyl)cyclohexanecarboxylate
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Formula C16H22O2
InChI InChI=1S/C16H22O2/c1-3-18-16(17)14-10-8-13(9-11-14)15-7-5-4-6-12(15)2/h4-7,13-14H,3,8-11H2,1-2H3/t13-,14-
InChIKey WBTKQTIJHLGIST-HDJSIYSDSA-N
Literature Reference DOI 10.1021/ol403673e
Molecular Weight 246.350 g/mol
SMILES C1C[C@](CC[C@@]1(C(=O)OCC)[H])(c1ccccc1C)[H]
SPLASH splash10-0pi1-1950000000-a98fac18920d9e721dd9
Source of Spectrum A1-16-924/SM40-3ah
Wiley ID 1747718