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

View entire compound with spectra: 1 NMR

Phthalic acid, heptyl trans-hex-3-enyl ester
SpectraBase Compound ID 4STV4D7xpH6
InChI InChI=1S/C21H30O4/c1-3-5-7-9-13-17-25-21(23)19-15-11-10-14-18(19)20(22)24-16-12-8-6-4-2/h6,8,10-11,14-15H,3-5,7,9,12-13,16-17H2,1-2H3/b8-6+
InChIKey AQLDBLFEFASKIT-SOFGYWHQSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4m6ht7zAEqF
Name Phthalic acid, heptyl trans-hex-3-enyl ester
Comments Computed using HOSE algorithm
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Exact Mass 346.214409442 u
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-3-5-7-9-13-17-25-21(23)19-15-11-10-14-18(19)20(22)24-16-12-8-6-4-2/h6,8,10-11,14-15H,3-5,7,9,12-13,16-17H2,1-2H3/b8-6+
InChIKey AQLDBLFEFASKIT-SOFGYWHQSA-N
Molecular Weight 346.467 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCC)=O)C(OCC\C=C\CC)=O