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Diethylmalonic acid, butyl 4-methoxyphenyl ester
SpectraBase Compound ID K4jKGQJ2ddr
InChI InChI=1S/C18H26O5/c1-5-8-13-22-16(19)18(6-2,7-3)17(20)23-15-11-9-14(21-4)10-12-15/h9-12H,5-8,13H2,1-4H3
InChIKey IPSSYSGCYMWQMS-UHFFFAOYSA-N
Mol Weight 322.4 g/mol
Molecular Formula C18H26O5
Exact Mass 322.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FePOvCBKkOQ
Name Diethylmalonic acid, butyl 4-methoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 322.178023932 u
Formula C18H26O5
InChI InChI=1S/C18H26O5/c1-5-8-13-22-16(19)18(6-2,7-3)17(20)23-15-11-9-14(21-4)10-12-15/h9-12H,5-8,13H2,1-4H3
InChIKey IPSSYSGCYMWQMS-UHFFFAOYSA-N
Molecular Weight 322.401 g/mol
SMILES CCC(C(OCCCC)=O)(C(OC1=CC=C(C=C1)OC)=O)CC