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

View entire compound with spectra: 1 NMR

Phthalic acid, trans-hex-3-enyl tridecyl ester
SpectraBase Compound ID 2v5ftiVIP8y
InChI InChI=1S/C27H42O4/c1-3-5-7-9-10-11-12-13-14-15-19-23-31-27(29)25-21-17-16-20-24(25)26(28)30-22-18-8-6-4-2/h6,8,16-17,20-21H,3-5,7,9-15,18-19,22-23H2,1-2H3/b8-6+
InChIKey JFRVXGOKXVYMTR-SOFGYWHQSA-N
Mol Weight 430.6 g/mol
Molecular Formula C27H42O4
Exact Mass 430.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I7kHov8w00G
Name Phthalic acid, trans-hex-3-enyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 430.308309828 u
Formula C27H42O4
InChI InChI=1S/C27H42O4/c1-3-5-7-9-10-11-12-13-14-15-19-23-31-27(29)25-21-17-16-20-24(25)26(28)30-22-18-8-6-4-2/h6,8,16-17,20-21H,3-5,7,9-15,18-19,22-23H2,1-2H3/b8-6+
InChIKey JFRVXGOKXVYMTR-SOFGYWHQSA-N
Molecular Weight 430.629 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCCCCCCC)=O)C(OCC\C=C\CC)=O