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Menthyl cinnamate cyclic hydrodimer

View entire compound with spectra: 1 MS (GC)

Menthyl cinnamate cyclic hydrodimer
SpectraBase Compound ID BDPi1h7itmn
InChI InChI=1S/C28H34O3/c1-18(2)22-15-14-19(3)16-25(22)31-28(30)27-24(29)17-23(20-10-6-4-7-11-20)26(27)21-12-8-5-9-13-21/h4-13,18-19,22-23,25-27H,14-17H2,1-3H3/t19-,22+,23-,25-,26-,27-/m1/s1
InChIKey NRYQMMLASDEBKI-JUSHQUTGSA-N
Mol Weight 418.6 g/mol
Molecular Formula C28H34O3
Exact Mass 418.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5snCzzGalgV
Name Menthyl cinnamate cyclic hydrodimer
Alternate Name(s) (1S,2R,3S)-5-keto-2,3-diphenyl-cyclopentanecarboxylic acid[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl]ester (1S,2R,3S)-5-oxo-2,3-diphenyl-1-cyclopentanecarboxylic acid[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]ester [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl](1S,2R,3S)-5-oxo-2,3-diphenyl-cyclopentanecarboxylate [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl](1S,2R,3S)-5-oxidanylidene-2,3-diphenyl-cyclopentane-1-carboxylate [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl](1S,2R,3S)-5-oxo-2,3-diphenylcyclopentane-1-carboxylate (1S,2R,3S)-5-oxo-2,3-diphenyl-1-cyclopentanecarboxylic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1S,2R,3S)-5-oxo-2,3-diphenylcyclopentane-1-carboxylate [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (1S,2R,3S)-5-oxo-2,3-diphenyl-cyclopentanecarboxylate [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (1S,2R,3S)-5-oxidanylidene-2,3-diphenyl-cyclopentane-1-carboxylate
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Formula C28H34O3
InChI InChI=1S/C28H34O3/c1-18(2)22-15-14-19(3)16-25(22)31-28(30)27-24(29)17-23(20-10-6-4-7-11-20)26(27)21-12-8-5-9-13-21/h4-13,18-19,22-23,25-27H,14-17H2,1-3H3/t19-,22+,23-,25-,26-,27-/m1/s1
InChIKey NRYQMMLASDEBKI-JUSHQUTGSA-N
Molecular Weight 418.577 g/mol
SMILES [C@@]1(C(O[C@]2([C@@](CC[C@](C2)(C)[H])(C(C)C)[H])[H])=O)([C@@]([C@@](c2ccccc2)(CC1=O)[H])(c1ccccc1)[H])[H]
SPLASH splash10-001i-0970100000-264121cf264c882f2611
Source of Spectrum KC-0-1968-2
Wiley ID 784137