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Phthalic acid, 4-methylpent-2-yl nonyl ester

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

Phthalic acid, 4-methylpent-2-yl nonyl ester
SpectraBase Compound ID B5DNUeeDHC7
InChI InChI=1S/C23H36O4/c1-5-6-7-8-9-10-13-16-26-22(24)20-14-11-12-15-21(20)23(25)27-19(4)17-18(2)3/h11-12,14-15,18-19H,5-10,13,16-17H2,1-4H3
InChIKey WXRHSENXOVKNBY-UHFFFAOYSA-N
Mol Weight 376.5 g/mol
Molecular Formula C23H36O4
Exact Mass 376.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7tnq6vUh19u
Name Phthalic acid, 4-methylpent-2-yl nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.261359635 u
Formula C23H36O4
InChI InChI=1S/C23H36O4/c1-5-6-7-8-9-10-13-16-26-22(24)20-14-11-12-15-21(20)23(25)27-19(4)17-18(2)3/h11-12,14-15,18-19H,5-10,13,16-17H2,1-4H3
InChIKey WXRHSENXOVKNBY-UHFFFAOYSA-N
Molecular Weight 376.537 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCCC)=O)C(OC(C)CC(C)C)=O