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Phthalic acid, octyl trans-dec-3-enyl ester

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

Phthalic acid, octyl trans-dec-3-enyl ester
SpectraBase Compound ID LvbCbMAkYNw
InChI InChI=1S/C26H40O4/c1-3-5-7-9-11-12-14-18-22-30-26(28)24-20-16-15-19-23(24)25(27)29-21-17-13-10-8-6-4-2/h12,14-16,19-20H,3-11,13,17-18,21-22H2,1-2H3/b14-12+
InChIKey XZKSLWFMICQWGF-WYMLVPIESA-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 Gbt4SBcosry
Name Phthalic acid, octyl trans-dec-3-enyl ester
Comments Computed using HOSE algorithm
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Exact Mass 416.292659764 u
Formula C26H40O4
InChI InChI=1S/C26H40O4/c1-3-5-7-9-11-12-14-18-22-30-26(28)24-20-16-15-19-23(24)25(27)29-21-17-13-10-8-6-4-2/h12,14-16,19-20H,3-11,13,17-18,21-22H2,1-2H3/b14-12+
InChIKey XZKSLWFMICQWGF-WYMLVPIESA-N
Molecular Weight 416.602 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCC)=O)C(OCC\C=C\CCCCCC)=O