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(1S,2R)-trans-2-Phenylcyclohexyl 2-Isopropoxyphenylacetate
SpectraBase Compound ID 2teiM4LzdXl
InChI InChI=1S/C23H28O3/c1-17(2)25-22(19-13-7-4-8-14-19)23(24)26-21-16-10-9-15-20(21)18-11-5-3-6-12-18/h3-8,11-14,17,20-22H,9-10,15-16H2,1-2H3/t20-,21+,22?/m1/s1
InChIKey NOMTUVPPKSIAAA-LKXRKSRJSA-N
Mol Weight 352.47 g/mol
Molecular Formula C23H28O3
Exact Mass 352.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FKJehtLn5GZ
Name (1S,2R)-trans-2-Phenylcyclohexyl 2-Isopropoxyphenylacetate
Alternate Name(s) (1S,2R)-trans-2-Phenylcyclohexyl 2(R)-Isopropoxyphenylacetate (1S,2R)-2-phenylcyclohexyl (2-isopropoxyphenyl)acetate Isopropoxy-phenyl-acetic acid (1S,2R)-2-phenyl-cyclohexyl ester
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Formula C23H28O3
InChI InChI=1S/C23H28O3/c1-17(2)25-22(19-13-7-4-8-14-19)23(24)26-21-16-10-9-15-20(21)18-11-5-3-6-12-18/h3-8,11-14,17,20-22H,9-10,15-16H2,1-2H3/t20-,21+,22?/m1/s1
InChIKey NOMTUVPPKSIAAA-LKXRKSRJSA-N
Molecular Weight 352.474 g/mol
SMILES C(O[C@@]1([C@@](c2ccccc2)(CCCC1)[H])[H])(C(OC(C)C)c1ccccc1)=O
SPLASH splash10-0a4l-5900000000-0ab26f86b5e603feb601
Source of Spectrum J-60-4460-8
Wiley ID 1343655