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(1R,2S,5R)-8-Phenylmenthyl 2(R)-Isopropoxyphenylacetate
SpectraBase Compound ID 4r0dEMx5mrg
InChI InChI=1S/C27H36O3/c1-19(2)29-25(21-12-8-6-9-13-21)26(28)30-24-18-20(3)16-17-23(24)27(4,5)22-14-10-7-11-15-22/h6-15,19-20,23-25H,16-18H2,1-5H3/t20-,23?,24?,25?/m0/s1
InChIKey JBPDERFFQOHHMG-MVFMVMQSSA-N
Mol Weight 408.6 g/mol
Molecular Formula C27H36O3
Exact Mass 408.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EJNfsCFrAOY
Name (1R,2S,5R)-8-Phenylmenthyl 2(R)-Isopropoxyphenylacetate
Alternate Name(s) (1R,2S,5R)-8-Phenylmenthyl 2(R)-(Isopropoxy)-2-(phenyl)acetate (5S)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl (2-isopropoxyphenyl)acetate
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Formula C27H36O3
InChI InChI=1S/C27H36O3/c1-19(2)29-25(21-12-8-6-9-13-21)26(28)30-24-18-20(3)16-17-23(24)27(4,5)22-14-10-7-11-15-22/h6-15,19-20,23-25H,16-18H2,1-5H3/t20-,23?,24?,25?/m0/s1
InChIKey JBPDERFFQOHHMG-MVFMVMQSSA-N
Molecular Weight 408.582 g/mol
SMILES C(OC1C(C(c2ccccc2)(C)C)CC[C@@](C1)(C)[H])(C(OC(C)C)c1ccccc1)=O
SPLASH splash10-0a4j-2900000000-4ee79bb3323971fdf39d
Source of Spectrum J-60-4458-8
Wiley ID 1373156