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(1R,2S,5R)-8-Phenylmenthyl 2(S)-Isopropoxyphenylacetate
SpectraBase Compound ID AMA4sDWaXT1
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?/m1/s1
InChIKey JBPDERFFQOHHMG-QJTFLJHRSA-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 7n8AJGTMuop
Name (1R,2S,5R)-8-Phenylmenthyl 2(S)-Isopropoxyphenylacetate
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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?/m1/s1
InChIKey JBPDERFFQOHHMG-QJTFLJHRSA-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 splash10-0002-0930000000-9b08549be7a11ffbfc9f
Source of Spectrum J-60-4458-8
Synonyms (1R,2S,5R)-8-Phenylmenthyl 2(S)-(Isopropoxy)-2-(phenyl)acetate (5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl (2-isopropoxyphenyl)acetate
Wiley ID 1373155