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

View entire compound with spectra: 1 NMR

Phthalic acid, decyl 4-methylhept-3-yl ester
SpectraBase Compound ID Dt46gk6e1VC
InChI InChI=1S/C26H42O4/c1-5-8-9-10-11-12-13-16-20-29-25(27)22-18-14-15-19-23(22)26(28)30-24(7-3)21(4)17-6-2/h14-15,18-19,21,24H,5-13,16-17,20H2,1-4H3
InChIKey ZQBKBFFQXKFTBE-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C26H42O4
Exact Mass 418.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 835WhD2jY4Q
Name Phthalic acid, decyl 4-methylhept-3-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.308309828 u
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-5-8-9-10-11-12-13-16-20-29-25(27)22-18-14-15-19-23(22)26(28)30-24(7-3)21(4)17-6-2/h14-15,18-19,21,24H,5-13,16-17,20H2,1-4H3
InChIKey ZQBKBFFQXKFTBE-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES C(C1=CC=CC=C1C(OC(CC)C(C)CCC)=O)(OCCCCCCCCCC)=O