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Dimethylmalonic acid, 4-acetylphenyl tetradecyl ester

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Dimethylmalonic acid, 4-acetylphenyl tetradecyl ester
SpectraBase Compound ID 4qUh6djJ6YG
InChI InChI=1S/C27H42O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-21-31-25(29)27(3,4)26(30)32-24-19-17-23(18-20-24)22(2)28/h17-20H,5-16,21H2,1-4H3
InChIKey AUPADCMNMPOLIE-UHFFFAOYSA-N
Mol Weight 446.6 g/mol
Molecular Formula C27H42O5
Exact Mass 446.303224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AuPY8Y2WORk
Name Dimethylmalonic acid, 4-acetylphenyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.303224447 u
Formula C27H42O5
InChI InChI=1S/C27H42O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-21-31-25(29)27(3,4)26(30)32-24-19-17-23(18-20-24)22(2)28/h17-20H,5-16,21H2,1-4H3
InChIKey AUPADCMNMPOLIE-UHFFFAOYSA-N
Molecular Weight 446.628 g/mol
SMILES CC(C1=CC=C(C=C1)OC(C(C(OCCCCCCCCCCCCCC)=O)(C)C)=O)=O