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Sebacic acid, dodecyl 3-phenylallyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, dodecyl 3-phenylallyl ester
SpectraBase Compound ID 8jiRdeeFvKZ
InChI InChI=1S/C31H50O4/c1-2-3-4-5-6-7-8-11-14-20-27-34-30(32)25-18-12-9-10-13-19-26-31(33)35-28-21-24-29-22-16-15-17-23-29/h15-17,21-24H,2-14,18-20,25-28H2,1H3/b24-21+
InChIKey COVRWUSTUUBARI-DARPEHSRSA-N
Mol Weight 486.7 g/mol
Molecular Formula C31H50O4
Exact Mass 486.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1fqsikytU67
Name Sebacic acid, dodecyl 3-phenylallyl ester
Comments Computed using HOSE algorithm
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Exact Mass 486.370910086 u
Formula C31H50O4
InChI InChI=1S/C31H50O4/c1-2-3-4-5-6-7-8-11-14-20-27-34-30(32)25-18-12-9-10-13-19-26-31(33)35-28-21-24-29-22-16-15-17-23-29/h15-17,21-24H,2-14,18-20,25-28H2,1H3/b24-21+
InChIKey COVRWUSTUUBARI-DARPEHSRSA-N
Molecular Weight 486.737 g/mol
SMILES C(C(OC\C=C\C1=CC=CC=C1)=O)CCCCCCCC(OCCCCCCCCCCCC)=O