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Malonic acid, 2,4-dimethylpent-3-yl heptadecyl ester

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

Malonic acid, 2,4-dimethylpent-3-yl heptadecyl ester
SpectraBase Compound ID Fi3x7py5aF8
InChI InChI=1S/C27H52O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-25(28)22-26(29)31-27(23(2)3)24(4)5/h23-24,27H,6-22H2,1-5H3
InChIKey ZVMUTDVUFCGMEE-UHFFFAOYSA-N
Mol Weight 440.7 g/mol
Molecular Formula C27H52O4
Exact Mass 440.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Yo20zfBH7o
Name Malonic acid, 2,4-dimethylpent-3-yl heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 440.386560150 u
Formula C27H52O4
InChI InChI=1S/C27H52O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-25(28)22-26(29)31-27(23(2)3)24(4)5/h23-24,27H,6-22H2,1-5H3
InChIKey ZVMUTDVUFCGMEE-UHFFFAOYSA-N
Molecular Weight 440.709 g/mol
SMILES C(C(OC(C(C)C)C(C)C)=O)C(OCCCCCCCCCCCCCCCCC)=O