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Phthalic acid, hexyl 5-methoxy-3-methylpentyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, hexyl 5-methoxy-3-methylpentyl ester
SpectraBase Compound ID AyEy006pUUh
InChI InChI=1S/C21H32O5/c1-4-5-6-9-14-25-20(22)18-10-7-8-11-19(18)21(23)26-16-13-17(2)12-15-24-3/h7-8,10-11,17H,4-6,9,12-16H2,1-3H3
InChIKey DMAVYEMIOTYYGL-UHFFFAOYSA-N
Mol Weight 364.5 g/mol
Molecular Formula C21H32O5
Exact Mass 364.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E38SjSSAmox
Name Phthalic acid, hexyl 5-methoxy-3-methylpentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.224974125 u
Formula C21H32O5
InChI InChI=1S/C21H32O5/c1-4-5-6-9-14-25-20(22)18-10-7-8-11-19(18)21(23)26-16-13-17(2)12-15-24-3/h7-8,10-11,17H,4-6,9,12-16H2,1-3H3
InChIKey DMAVYEMIOTYYGL-UHFFFAOYSA-N
Molecular Weight 364.482 g/mol
SMILES C(COC(C1=C(C=CC=C1)C(=O)OCCCCCC)=O)C(CCOC)C