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

View entire compound with spectra: 1 NMR

Phthalic acid, hexyl 4-methylhept-3-yl ester
SpectraBase Compound ID vEh39o2A8E
InChI InChI=1S/C22H34O4/c1-5-8-9-12-16-25-21(23)18-14-10-11-15-19(18)22(24)26-20(7-3)17(4)13-6-2/h10-11,14-15,17,20H,5-9,12-13,16H2,1-4H3
InChIKey KUIFZHAPERNHAZ-UHFFFAOYSA-N
Mol Weight 362.5 g/mol
Molecular Formula C22H34O4
Exact Mass 362.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FKwbQevJuYx
Name Phthalic acid, hexyl 4-methylhept-3-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.245709571 u
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-5-8-9-12-16-25-21(23)18-14-10-11-15-19(18)22(24)26-20(7-3)17(4)13-6-2/h10-11,14-15,17,20H,5-9,12-13,16H2,1-4H3
InChIKey KUIFZHAPERNHAZ-UHFFFAOYSA-N
Molecular Weight 362.510 g/mol
SMILES C(C1=CC=CC=C1C(OC(CC)C(C)CCC)=O)(OCCCCCC)=O