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Phthalic acid, isohexyl 1-methoxydec-4-yl ester

View entire compound with spectra: 1 NMR

Phthalic acid, isohexyl 1-methoxydec-4-yl ester
SpectraBase Compound ID 8NOfS4zzs87
InChI InChI=1S/C25H40O5/c1-5-6-7-8-14-21(15-12-18-28-4)30-25(27)23-17-10-9-16-22(23)24(26)29-19-11-13-20(2)3/h9-10,16-17,20-21H,5-8,11-15,18-19H2,1-4H3
InChIKey GRNYAWRMNCYGFR-UHFFFAOYSA-N
Mol Weight 420.6 g/mol
Molecular Formula C25H40O5
Exact Mass 420.287574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DR1uG0XIwR7
Name Phthalic acid, isohexyl 1-methoxydec-4-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.287574383 u
Formula C25H40O5
InChI InChI=1S/C25H40O5/c1-5-6-7-8-14-21(15-12-18-28-4)30-25(27)23-17-10-9-16-22(23)24(26)29-19-11-13-20(2)3/h9-10,16-17,20-21H,5-8,11-15,18-19H2,1-4H3
InChIKey GRNYAWRMNCYGFR-UHFFFAOYSA-N
Molecular Weight 420.590 g/mol
SMILES C1(=C(C=CC=C1)C(OCCCC(C)C)=O)C(OC(CCCOC)CCCCCC)=O