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Isophthalic acid, pentyl undec-2-en-1-yl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, pentyl undec-2-en-1-yl ester
SpectraBase Compound ID 55lZ2QxLjGt
InChI InChI=1S/C24H36O4/c1-3-5-7-8-9-10-11-12-14-19-28-24(26)22-17-15-16-21(20-22)23(25)27-18-13-6-4-2/h12,14-17,20H,3-11,13,18-19H2,1-2H3/b14-12+
InChIKey MDIBTHBUUIQCED-WYMLVPIESA-N
Mol Weight 388.5 g/mol
Molecular Formula C24H36O4
Exact Mass 388.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GydSvEpE2Sa
Name Isophthalic acid, pentyl undec-2-en-1-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.261359635 u
Formula C24H36O4
InChI InChI=1S/C24H36O4/c1-3-5-7-8-9-10-11-12-14-19-28-24(26)22-17-15-16-21(20-22)23(25)27-18-13-6-4-2/h12,14-17,20H,3-11,13,18-19H2,1-2H3/b14-12+
InChIKey MDIBTHBUUIQCED-WYMLVPIESA-N
Molecular Weight 388.548 g/mol
SMILES C1=CC=C(C=C1C(OC\C=C\CCCCCCCC)=O)C(OCCCCC)=O