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3-[1',1'-bis(Benzyloxycarbonyl)ethyl]-cyclohexan-1-one
SpectraBase Compound ID J6vRQdHCcWF
InChI InChI=1S/C24H26O5/c1-24(20-13-8-14-21(25)15-20,22(26)28-16-18-9-4-2-5-10-18)23(27)29-17-19-11-6-3-7-12-19/h2-7,9-12,20H,8,13-17H2,1H3
InChIKey FPUNKYPXCVAXBM-UHFFFAOYSA-N
Mol Weight 394.47 g/mol
Molecular Formula C24H26O5
Exact Mass 394.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6OzW8XG9EhP
Name 3-[1',1'-bis(Benzyloxycarbonyl)ethyl]-cyclohexan-1-one
Alternate Name(s) 2-methyl-2-(3-oxocyclohexyl)propanedioic acid bis(phenylmethyl) ester dibenzyl 2-methyl-2-(3-oxocyclohexyl)propanedioate bis(phenylmethyl) 2-methyl-2-(3-oxidanylidenecyclohexyl)propanedioate
Comments Less than 3 mono-isotopic peaks
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Formula C24H26O5
InChI InChI=1S/C24H26O5/c1-24(20-13-8-14-21(25)15-20,22(26)28-16-18-9-4-2-5-10-18)23(27)29-17-19-11-6-3-7-12-19/h2-7,9-12,20H,8,13-17H2,1H3
InChIKey FPUNKYPXCVAXBM-UHFFFAOYSA-N
Molecular Weight 394.467 g/mol
SMILES C(C1CC(=O)CCC1)(C(OCc1ccccc1)=O)(C(OCc1ccccc1)=O)C
SPLASH splash10-0006-9003000000-048ba46afa6869930c38
Source of Spectrum C-117-6196-5
Wiley ID 1697883