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Phthalic acid, isohexyl 5-methoxy-3-methylpent-2-yl ester

View entire compound with spectra: 1 NMR

Phthalic acid, isohexyl 5-methoxy-3-methylpent-2-yl ester
SpectraBase Compound ID EoNR0UCCWyD
InChI InChI=1S/C21H32O5/c1-15(2)9-8-13-25-20(22)18-10-6-7-11-19(18)21(23)26-17(4)16(3)12-14-24-5/h6-7,10-11,15-17H,8-9,12-14H2,1-5H3
InChIKey BUKARDRUWPDFGQ-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 3kCMjdj3eae
Name Phthalic acid, isohexyl 5-methoxy-3-methylpent-2-yl 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/c1-15(2)9-8-13-25-20(22)18-10-6-7-11-19(18)21(23)26-17(4)16(3)12-14-24-5/h6-7,10-11,15-17H,8-9,12-14H2,1-5H3
InChIKey BUKARDRUWPDFGQ-UHFFFAOYSA-N
Molecular Weight 364.482 g/mol
SMILES C(C1=C(C=CC=C1)C(OC(C(CCOC)C)C)=O)(OCCCC(C)C)=O