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Phthalic acid, dodecyl trans-hex-3-enyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, dodecyl trans-hex-3-enyl ester
SpectraBase Compound ID 7ESQtGF8JFc
InChI InChI=1S/C26H40O4/c1-3-5-7-9-10-11-12-13-14-18-22-30-26(28)24-20-16-15-19-23(24)25(27)29-21-17-8-6-4-2/h6,8,15-16,19-20H,3-5,7,9-14,17-18,21-22H2,1-2H3/b8-6+
InChIKey CFXZLBSORFDWGO-SOFGYWHQSA-N
Mol Weight 416.6 g/mol
Molecular Formula C26H40O4
Exact Mass 416.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CHTHQ8ab5A8
Name Phthalic acid, dodecyl trans-hex-3-enyl ester
Comments Computed using HOSE algorithm
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Exact Mass 416.292659764 u
Formula C26H40O4
InChI InChI=1S/C26H40O4/c1-3-5-7-9-10-11-12-13-14-18-22-30-26(28)24-20-16-15-19-23(24)25(27)29-21-17-8-6-4-2/h6,8,15-16,19-20H,3-5,7,9-14,17-18,21-22H2,1-2H3/b8-6+
InChIKey CFXZLBSORFDWGO-SOFGYWHQSA-N
Molecular Weight 416.602 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCCCCCC)=O)C(OCC\C=C\CC)=O