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di(Tert-butyl) (+)-(1-(phenylethyl-3-oxobutyl)malonate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

di(Tert-butyl) (+)-(1-(phenylethyl-3-oxobutyl)malonate
SpectraBase Compound ID 4puVwKmUNyu
InChI InChI=1S/C23H34O5/c1-15(24)14-18(16(2)17-12-10-9-11-13-17)19(20(25)27-22(3,4)5)21(26)28-23(6,7)8/h9-13,16,18-19H,14H2,1-8H3
InChIKey SEWZNYVTOQZNES-UHFFFAOYSA-N
Mol Weight 390.5 g/mol
Molecular Formula C23H34O5
Exact Mass 390.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 75yxJE46P19
Name di(Tert-butyl) (+)-(1-(phenylethyl-3-oxobutyl)malonate
Comments Computed using HOSE algorithm
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Exact Mass 390.240624190 u
Formula C23H34O5
InChI InChI=1S/C23H34O5/c1-15(24)14-18(16(2)17-12-10-9-11-13-17)19(20(25)27-22(3,4)5)21(26)28-23(6,7)8/h9-13,16,18-19H,14H2,1-8H3
InChIKey SEWZNYVTOQZNES-UHFFFAOYSA-N
Molecular Weight 390.520 g/mol
SMILES C(C(OC(C)(C)C)=O)(C(OC(C)(C)C)=O)C(C(C1=CC=CC=C1)C)CC(=O)C