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5H-Dibenzo[a,d]cycloheptene-10,11-dicarboxylic acid, 10,11-dihydro-, methyl 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-[1.alpha.(10R*,11R*),2.beta.,5.alpha.]]-
SpectraBase Compound ID AwvVBoKDuHY
InChI InChI=1S/C28H34O4/c1-17(2)21-14-13-18(3)15-24(21)32-28(30)26-23-12-8-6-10-20(23)16-19-9-5-7-11-22(19)25(26)27(29)31-4/h5-12,17-18,21,24-26H,13-16H2,1-4H3/t18?,21?,24?,25-,26-/m0/s1
InChIKey YLFUMJNCPPDMKO-VNVBSZCZSA-N
Mol Weight 434.6 g/mol
Molecular Formula C28H34O4
Exact Mass 434.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GeCSDIc0mtf
Name 5H-Dibenzo[a,d]cycloheptene-10,11-dicarboxylic acid, 10,11-dihydro-, methyl 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-[1.alpha.(10R*,11R*),2.beta.,5.alpha.]]-
CAS Registry Number 115474-41-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H34O4
InChI InChI=1S/C28H34O4/c1-17(2)21-14-13-18(3)15-24(21)32-28(30)26-23-12-8-6-10-20(23)16-19-9-5-7-11-22(19)25(26)27(29)31-4/h5-12,17-18,21,24-26H,13-16H2,1-4H3/t18?,21?,24?,25-,26-/m0/s1
InChIKey YLFUMJNCPPDMKO-VNVBSZCZSA-N
Molecular Weight 434.576 g/mol
SMILES [C@]1(C(OC2C(CCC(C2)C)C(C)C)=O)([C@](c2c(cccc2)Cc2c1cccc2)(C(=O)OC)[H])[H]
SPLASH splash10-0f8m-4390000000-c00b498381d884b88ef1
Source of Spectrum F-43-4955-11
Synonyms (L)-Menthyl methyl (10R,11R)-dibenzo[a,d]cycloheptane-10,11-dicarboxylate 10-(2-isopropyl-5-methylcyclohexyl) 11-methyl (10R,11R)-10,11-dihydro-5H-dibenzo[a,d]cycloheptene-10,11-dicarboxylate
Wiley ID 1383100