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Isophthalic acid, nonyl 1-propylbutyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, nonyl 1-propylbutyl ester
SpectraBase Compound ID KrCnDCJPRfb
InChI InChI=1S/C24H38O4/c1-4-7-8-9-10-11-12-18-27-23(25)20-16-13-17-21(19-20)24(26)28-22(14-5-2)15-6-3/h13,16-17,19,22H,4-12,14-15,18H2,1-3H3
InChIKey NINNOANFPBBLHZ-UHFFFAOYSA-N
Mol Weight 390.6 g/mol
Molecular Formula C24H38O4
Exact Mass 390.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HAX4vicBPPS
Name Isophthalic acid, nonyl 1-propylbutyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.277009700 u
Formula C24H38O4
InChI InChI=1S/C24H38O4/c1-4-7-8-9-10-11-12-18-27-23(25)20-16-13-17-21(19-20)24(26)28-22(14-5-2)15-6-3/h13,16-17,19,22H,4-12,14-15,18H2,1-3H3
InChIKey NINNOANFPBBLHZ-UHFFFAOYSA-N
Molecular Weight 390.564 g/mol
SMILES C1=CC(=CC(=C1)C(=O)OCCCCCCCCC)C(OC(CCC)CCC)=O