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Isophthalic acid, dec-2-yl nonyl ester

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

Isophthalic acid, dec-2-yl nonyl ester
SpectraBase Compound ID 3TVT4kWVqPe
InChI InChI=1S/C27H44O4/c1-4-6-8-10-12-14-16-21-30-26(28)24-19-17-20-25(22-24)27(29)31-23(3)18-15-13-11-9-7-5-2/h17,19-20,22-23H,4-16,18,21H2,1-3H3
InChIKey OZKJIPJTZAZCRY-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H44O4
Exact Mass 432.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9k9WACMU5U6
Name Isophthalic acid, dec-2-yl nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 432.323959893 u
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-4-6-8-10-12-14-16-21-30-26(28)24-19-17-20-25(22-24)27(29)31-23(3)18-15-13-11-9-7-5-2/h17,19-20,22-23H,4-16,18,21H2,1-3H3
InChIKey OZKJIPJTZAZCRY-UHFFFAOYSA-N
Molecular Weight 432.645 g/mol
SMILES C1=C(C=CC=C1C(OC(C)CCCCCCCC)=O)C(=O)OCCCCCCCCC