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

View entire compound with spectra: 1 NMR

Phthalic acid, 4-methylhept-3-yl pentadecyl ester
SpectraBase Compound ID IprgdYvPsb3
InChI InChI=1S/C31H52O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-21-25-34-30(32)27-23-19-20-24-28(27)31(33)35-29(7-3)26(4)22-6-2/h19-20,23-24,26,29H,5-18,21-22,25H2,1-4H3
InChIKey FEDVQOKFLJAXHQ-UHFFFAOYSA-N
Mol Weight 488.8 g/mol
Molecular Formula C31H52O4
Exact Mass 488.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LnlKigRO4SE
Name Phthalic acid, 4-methylhept-3-yl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 488.386560150 u
Formula C31H52O4
InChI InChI=1S/C31H52O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-21-25-34-30(32)27-23-19-20-24-28(27)31(33)35-29(7-3)26(4)22-6-2/h19-20,23-24,26,29H,5-18,21-22,25H2,1-4H3
InChIKey FEDVQOKFLJAXHQ-UHFFFAOYSA-N
Molecular Weight 488.753 g/mol
SMILES C(C1=CC=CC=C1C(OC(CC)C(C)CCC)=O)(OCCCCCCCCCCCCCCC)=O