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

View entire compound with spectra: 1 NMR

Phthalic acid, 4-methylhept-3-yl octyl ester
SpectraBase Compound ID 2QmNVuy47yb
InChI InChI=1S/C24H38O4/c1-5-8-9-10-11-14-18-27-23(25)20-16-12-13-17-21(20)24(26)28-22(7-3)19(4)15-6-2/h12-13,16-17,19,22H,5-11,14-15,18H2,1-4H3
InChIKey CDQADHCASHZCCR-UHFFFAOYSA-N
Mol Weight 390.6 g/mol
Molecular Formula C24H38O4
Exact Mass 390.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 92QvMTEbr3A
Name Phthalic acid, 4-methylhept-3-yl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.277009700 u
Formula C24H38O4
InChI InChI=1S/C24H38O4/c1-5-8-9-10-11-14-18-27-23(25)20-16-12-13-17-21(20)24(26)28-22(7-3)19(4)15-6-2/h12-13,16-17,19,22H,5-11,14-15,18H2,1-4H3
InChIKey CDQADHCASHZCCR-UHFFFAOYSA-N
Molecular Weight 390.564 g/mol
SMILES C(C1=CC=CC=C1C(OC(CC)C(C)CCC)=O)(OCCCCCCCC)=O