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3-[bis(Benzyloxycarbonyl)methyl]-cyclohexan-1-one
SpectraBase Compound ID 8zQQDYYhDNt
InChI InChI=1S/C23H24O5/c24-20-13-7-12-19(14-20)21(22(25)27-15-17-8-3-1-4-9-17)23(26)28-16-18-10-5-2-6-11-18/h1-6,8-11,19,21H,7,12-16H2
InChIKey JBDPMSUIIDZEPI-UHFFFAOYSA-N
Mol Weight 380.44 g/mol
Molecular Formula C23H24O5
Exact Mass 380.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID COm3nrlw7i0
Name 3-[bis(Benzyloxycarbonyl)methyl]-cyclohexan-1-one
Alternate Name(s) 2-(3-oxocyclohexyl)propanedioic acid bis(phenylmethyl) ester dibenzyl 2-(3-oxocyclohexyl)propanedioate bis(phenylmethyl) 2-(3-oxidanylidenecyclohexyl)propanedioate
Comments Less than 3 mono-isotopic peaks
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Formula C23H24O5
InChI InChI=1S/C23H24O5/c24-20-13-7-12-19(14-20)21(22(25)27-15-17-8-3-1-4-9-17)23(26)28-16-18-10-5-2-6-11-18/h1-6,8-11,19,21H,7,12-16H2
InChIKey JBDPMSUIIDZEPI-UHFFFAOYSA-N
Molecular Weight 380.440 g/mol
SMILES C(C1CC(=O)CCC1)(C(OCc1ccccc1)=O)C(OCc1ccccc1)=O
SPLASH splash10-0006-9030000000-2e1d107ac6329db5d9d2
Source of Spectrum C-117-6196-3
Wiley ID 1697884