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Sebacic acid, butyl 3-phenylallyl ester

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

Sebacic acid, butyl 3-phenylallyl ester
SpectraBase Compound ID 2C4YArPyXuL
InChI InChI=1S/C23H34O4/c1-2-3-19-26-22(24)17-11-6-4-5-7-12-18-23(25)27-20-13-16-21-14-9-8-10-15-21/h8-10,13-16H,2-7,11-12,17-20H2,1H3/b16-13+
InChIKey BQPJIXZFEXUBAZ-DTQAZKPQSA-N
Mol Weight 374.5 g/mol
Molecular Formula C23H34O4
Exact Mass 374.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C6uDTRbQ6D0
Name Sebacic acid, butyl 3-phenylallyl ester
Comments Computed using HOSE algorithm
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Exact Mass 374.245709571 u
Formula C23H34O4
InChI InChI=1S/C23H34O4/c1-2-3-19-26-22(24)17-11-6-4-5-7-12-18-23(25)27-20-13-16-21-14-9-8-10-15-21/h8-10,13-16H,2-7,11-12,17-20H2,1H3/b16-13+
InChIKey BQPJIXZFEXUBAZ-DTQAZKPQSA-N
Molecular Weight 374.521 g/mol
SMILES C(C(OC\C=C\C1=CC=CC=C1)=O)CCCCCCCC(OCCCC)=O