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Succinic acid, 3-ethylphenyl hexadecyl ester

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

Succinic acid, 3-ethylphenyl hexadecyl ester
SpectraBase Compound ID HsYccpKwcjN
InChI InChI=1S/C28H46O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-23-31-27(29)21-22-28(30)32-26-20-18-19-25(4-2)24-26/h18-20,24H,3-17,21-23H2,1-2H3
InChIKey QJGVLSIBLSINCW-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 JMqOYUa0ePq
Name Succinic acid, 3-ethylphenyl hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-23-31-27(29)21-22-28(30)32-26-20-18-19-25(4-2)24-26/h18-20,24H,3-17,21-23H2,1-2H3
InChIKey QJGVLSIBLSINCW-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C(CC(OC1=CC=CC(CC)=C1)=O)C(OCCCCCCCCCCCCCCCC)=O