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cis,cis-1,3,5-Trimethyl-3,5-bis(benzyloxycarbonyl)cyclohexane-1-carboxylic acid
SpectraBase Compound ID LmPyeCHeuAo
InChI InChI=1S/C26H30O6/c1-24(21(27)28)16-25(2,22(29)31-14-19-10-6-4-7-11-19)18-26(3,17-24)23(30)32-15-20-12-8-5-9-13-20/h4-13H,14-18H2,1-3H3,(H,27,28)/t24-,25+,26-
InChIKey LANVUUUPFSDZDU-OOSCYNTBSA-N
Mol Weight 438.52 g/mol
Molecular Formula C26H30O6
Exact Mass 438.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CCf1HFtzSC2
Name cis,cis-1,3,5-Trimethyl-3,5-bis(benzyloxycarbonyl)cyclohexane-1-carboxylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C26H30O6
InChI InChI=1S/C26H30O6/c1-24(21(27)28)16-25(2,22(29)31-14-19-10-6-4-7-11-19)18-26(3,17-24)23(30)32-15-20-12-8-5-9-13-20/h4-13H,14-18H2,1-3H3,(H,27,28)/t24-,25+,26-
InChIKey LANVUUUPFSDZDU-OOSCYNTBSA-N
Molecular Weight 438.520 g/mol
SMILES OC([C@]1(C[C@@](C(OCc2ccccc2)=O)(C[C@@](C(OCc2ccccc2)=O)(C1)C)C)C)=O
SPLASH splash10-014i-0900200000-e25af4cff3299be0ea5a
Source of Spectrum AJ-72-871-3
Synonyms 1,3,5-Trimethyl-3,5-bis(benzyloxycarbonyl)cyclohexane-1-carboxylic acid 3,5-bis[(benzyloxy)carbonyl]-1,3,5-trimethylcyclohexanecarboxylic acid
Wiley ID 774946