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Isophthalic acid, pent-4-enyl tridecyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, pent-4-enyl tridecyl ester
SpectraBase Compound ID 4vbH5V78zYo
InChI InChI=1S/C26H40O4/c1-3-5-7-8-9-10-11-12-13-14-16-21-30-26(28)24-19-17-18-23(22-24)25(27)29-20-15-6-4-2/h4,17-19,22H,2-3,5-16,20-21H2,1H3
InChIKey VTYFWYAWCVFBID-UHFFFAOYSA-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 LD2JOn3vy8a
Name Isophthalic acid, pent-4-enyl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.292659764 u
Formula C26H40O4
InChI InChI=1S/C26H40O4/c1-3-5-7-8-9-10-11-12-13-14-16-21-30-26(28)24-19-17-18-23(22-24)25(27)29-20-15-6-4-2/h4,17-19,22H,2-3,5-16,20-21H2,1H3
InChIKey VTYFWYAWCVFBID-UHFFFAOYSA-N
Molecular Weight 416.602 g/mol
SMILES C1=CC(=CC(=C1)C(=O)OCCCCCCCCCCCCC)C(OCCCC=C)=O