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Succinic acid, heptadecyl 4-methoxy-2-methylbutyl ester

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

Succinic acid, heptadecyl 4-methoxy-2-methylbutyl ester
SpectraBase Compound ID 9khwFQ3vI53
InChI InChI=1S/C27H52O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-31-26(28)19-20-27(29)32-24-25(2)21-23-30-3/h25H,4-24H2,1-3H3
InChIKey YTZKRONGDAYNPZ-UHFFFAOYSA-N
Mol Weight 456.7 g/mol
Molecular Formula C27H52O5
Exact Mass 456.381475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L8k4c1i4siK
Name Succinic acid, heptadecyl 4-methoxy-2-methylbutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 456.381474769 u
Formula C27H52O5
InChI InChI=1S/C27H52O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-31-26(28)19-20-27(29)32-24-25(2)21-23-30-3/h25H,4-24H2,1-3H3
InChIKey YTZKRONGDAYNPZ-UHFFFAOYSA-N
Molecular Weight 456.708 g/mol
SMILES C(CCOC(CCC(OCC(CCOC)C)=O)=O)CCCCCCCCCCCCCC