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3-[bis(Benzyloxycarbonyl)ethyl]-cyclopentan-1-one
SpectraBase Compound ID 95XSlezzczo
InChI InChI=1S/C23H24O5/c1-23(19-12-13-20(24)14-19,21(25)27-15-17-8-4-2-5-9-17)22(26)28-16-18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3
InChIKey IICXUAWHHSJHKW-UHFFFAOYSA-N
Mol Weight 380.44 g/mol
Molecular Formula C23H24O5
Exact Mass 380.162374 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HXun14pWAfO
Name 3-[bis(Benzyloxycarbonyl)ethyl]-cyclopentan-1-one
Comments Computed using HOSE algorithm
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Exact Mass 380.162373868 u
Formula C23H24O5
InChI InChI=1S/C23H24O5/c1-23(19-12-13-20(24)14-19,21(25)27-15-17-8-4-2-5-9-17)22(26)28-16-18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3
InChIKey IICXUAWHHSJHKW-UHFFFAOYSA-N
Molecular Weight 380.440 g/mol
SMILES C(C1CC(=O)CC1)(C(OCC1=CC=CC=C1)=O)(C(OCC=1C=CC=CC1)=O)C