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Phthalic acid, 4-methylpent-2-yl octyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Phthalic acid, 4-methylpent-2-yl octyl ester
SpectraBase Compound ID 4IpqdzWFSKo
InChI InChI=1S/C22H34O4/c1-5-6-7-8-9-12-15-25-21(23)19-13-10-11-14-20(19)22(24)26-18(4)16-17(2)3/h10-11,13-14,17-18H,5-9,12,15-16H2,1-4H3
InChIKey ZVNGLVFWAOBRTI-UHFFFAOYSA-N
Mol Weight 362.5 g/mol
Molecular Formula C22H34O4
Exact Mass 362.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1M2BOGrD9bE
Name Phthalic acid, 4-methylpent-2-yl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.245709571 u
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-5-6-7-8-9-12-15-25-21(23)19-13-10-11-14-20(19)22(24)26-18(4)16-17(2)3/h10-11,13-14,17-18H,5-9,12,15-16H2,1-4H3
InChIKey ZVNGLVFWAOBRTI-UHFFFAOYSA-N
Molecular Weight 362.510 g/mol
SMILES C1=CC=CC(=C1C(OCCCCCCCC)=O)C(OC(C)CC(C)C)=O