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Phthalic acid, hept-4-yl octadecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, hept-4-yl octadecyl ester
SpectraBase Compound ID CiDz5AbOjob
InChI InChI=1S/C33H56O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-28-36-32(34)30-26-21-22-27-31(30)33(35)37-29(24-5-2)25-6-3/h21-22,26-27,29H,4-20,23-25,28H2,1-3H3
InChIKey ZVYDPUXWYCNVRW-UHFFFAOYSA-N
Mol Weight 516.8 g/mol
Molecular Formula C33H56O4
Exact Mass 516.41786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5xeXGibsSGv
Name Phthalic acid, hept-4-yl octadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 516.417860279 u
Formula C33H56O4
InChI InChI=1S/C33H56O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-28-36-32(34)30-26-21-22-27-31(30)33(35)37-29(24-5-2)25-6-3/h21-22,26-27,29H,4-20,23-25,28H2,1-3H3
InChIKey ZVYDPUXWYCNVRW-UHFFFAOYSA-N
Molecular Weight 516.807 g/mol
SMILES C1=CC(=C(C=C1)C(OC(CCC)CCC)=O)C(OCCCCCCCCCCCCCCCCCC)=O