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Dimethylmalonic acid, heptadecyl 2-phenethyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Dimethylmalonic acid, heptadecyl 2-phenethyl ester
SpectraBase Compound ID KRMFeq5ywKu
InChI InChI=1S/C30H50O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-33-28(31)30(2,3)29(32)34-26-24-27-22-19-18-20-23-27/h18-20,22-23H,4-17,21,24-26H2,1-3H3
InChIKey VIKULCUMGIVBOS-UHFFFAOYSA-N
Mol Weight 474.7 g/mol
Molecular Formula C30H50O4
Exact Mass 474.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BQEeLOSCDLn
Name Dimethylmalonic acid, heptadecyl 2-phenethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 474.370910086 u
Formula C30H50O4
InChI InChI=1S/C30H50O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-33-28(31)30(2,3)29(32)34-26-24-27-22-19-18-20-23-27/h18-20,22-23H,4-17,21,24-26H2,1-3H3
InChIKey VIKULCUMGIVBOS-UHFFFAOYSA-N
Molecular Weight 474.726 g/mol
SMILES C1=CC=CC(=C1)CCOC(=O)C(C)(C)C(OCCCCCCCCCCCCCCCCC)=O