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Sebacic acid, dodecyl 3-ethylphenyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, dodecyl 3-ethylphenyl ester
SpectraBase Compound ID GzGkC4rVPSN
InChI InChI=1S/C30H50O4/c1-3-5-6-7-8-9-10-13-16-19-25-33-29(31)23-17-14-11-12-15-18-24-30(32)34-28-22-20-21-27(4-2)26-28/h20-22,26H,3-19,23-25H2,1-2H3
InChIKey CPECCNMWMDJINL-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 FLCjuF4Sxtn
Name Sebacic acid, dodecyl 3-ethylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 474.370910086 u
Formula C30H50O4
InChI InChI=1S/C30H50O4/c1-3-5-6-7-8-9-10-13-16-19-25-33-29(31)23-17-14-11-12-15-18-24-30(32)34-28-22-20-21-27(4-2)26-28/h20-22,26H,3-19,23-25H2,1-2H3
InChIKey CPECCNMWMDJINL-UHFFFAOYSA-N
Molecular Weight 474.726 g/mol
SMILES C(CCCCCC(OC1=CC(CC)=CC=C1)=O)CCC(OCCCCCCCCCCCC)=O