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Dimethylmalonic acid, pentadecyl 2-phenethyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, pentadecyl 2-phenethyl ester
SpectraBase Compound ID 3PyH2x1HDXP
InChI InChI=1S/C28H46O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-23-31-26(29)28(2,3)27(30)32-24-22-25-20-17-16-18-21-25/h16-18,20-21H,4-15,19,22-24H2,1-3H3
InChIKey XYEZXYLEUNCHJA-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H46O4
Exact Mass 446.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L2oZFglzBxN
Name Dimethylmalonic acid, pentadecyl 2-phenethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-23-31-26(29)28(2,3)27(30)32-24-22-25-20-17-16-18-21-25/h16-18,20-21H,4-15,19,22-24H2,1-3H3
InChIKey XYEZXYLEUNCHJA-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C1=CC=CC(=C1)CCOC(=O)C(C)(C)C(OCCCCCCCCCCCCCCC)=O