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Diethyl 2-(3-(4-methoxyphenyl)-3-oxopropyl)-2-(3-methylbut-2-enyl)malonate
SpectraBase Compound ID 5Q1z32oSMfr
InChI InChI=1S/C22H30O6/c1-6-27-20(24)22(14-12-16(3)4,21(25)28-7-2)15-13-19(23)17-8-10-18(26-5)11-9-17/h8-12H,6-7,13-15H2,1-5H3
InChIKey CVZWZVXOYDMRJL-UHFFFAOYSA-N
Mol Weight 390.48 g/mol
Molecular Formula C22H30O6
Exact Mass 390.204239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ZuY998fmAl
Name Diethyl 2-(3-(4-methoxyphenyl)-3-oxopropyl)-2-(3-methylbut-2-enyl)malonate
Comments Computed using HOSE algorithm
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Exact Mass 390.204238680 u
Formula C22H30O6
InChI InChI=1S/C22H30O6/c1-6-27-20(24)22(14-12-16(3)4,21(25)28-7-2)15-13-19(23)17-8-10-18(26-5)11-9-17/h8-12H,6-7,13-15H2,1-5H3
InChIKey CVZWZVXOYDMRJL-UHFFFAOYSA-N
Molecular Weight 390.476 g/mol
SMILES C(C(C(OCC)=O)(CC=C(C)C)CCC(=O)C=1C=CC(OC)=CC1)(=O)OCC