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Phthalic acid, heptyl 4-methylhept-3-yl ester

View entire compound with spectra: 1 NMR

Phthalic acid, heptyl 4-methylhept-3-yl ester
SpectraBase Compound ID KXzEPEhKv7H
InChI InChI=1S/C23H36O4/c1-5-8-9-10-13-17-26-22(24)19-15-11-12-16-20(19)23(25)27-21(7-3)18(4)14-6-2/h11-12,15-16,18,21H,5-10,13-14,17H2,1-4H3
InChIKey MCKQWWFLJRYLJL-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 IEdD2hoSFkj
Name Phthalic acid, heptyl 4-methylhept-3-yl 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/c1-5-8-9-10-13-17-26-22(24)19-15-11-12-16-20(19)23(25)27-21(7-3)18(4)14-6-2/h11-12,15-16,18,21H,5-10,13-14,17H2,1-4H3
InChIKey MCKQWWFLJRYLJL-UHFFFAOYSA-N
Molecular Weight 376.537 g/mol
SMILES C(C1=CC=CC=C1C(OC(CC)C(C)CCC)=O)(OCCCCCCC)=O