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

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

Phthalic acid, heptyl trans-dec-3-enyl ester
SpectraBase Compound ID JiFaVXSmRjk
InChI InChI=1S/C25H38O4/c1-3-5-7-9-10-11-13-17-21-29-25(27)23-19-15-14-18-22(23)24(26)28-20-16-12-8-6-4-2/h11,13-15,18-19H,3-10,12,16-17,20-21H2,1-2H3/b13-11+
InChIKey ZLDYCMHPPLCJCQ-ACCUITESSA-N
Mol Weight 402.6 g/mol
Molecular Formula C25H38O4
Exact Mass 402.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JEhTZRYm5f5
Name Phthalic acid, heptyl trans-dec-3-enyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.277009700 u
Formula C25H38O4
InChI InChI=1S/C25H38O4/c1-3-5-7-9-10-11-13-17-21-29-25(27)23-19-15-14-18-22(23)24(26)28-20-16-12-8-6-4-2/h11,13-15,18-19H,3-10,12,16-17,20-21H2,1-2H3/b13-11+
InChIKey ZLDYCMHPPLCJCQ-ACCUITESSA-N
Molecular Weight 402.575 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCC)=O)C(OCC\C=C\CCCCCC)=O