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

View entire compound with spectra: 1 NMR

Phthalic acid, hexadecyl 4-methylhept-3-yl ester
SpectraBase Compound ID 7czgGgmC7L
InChI InChI=1S/C32H54O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-22-26-35-31(33)28-24-20-21-25-29(28)32(34)36-30(7-3)27(4)23-6-2/h20-21,24-25,27,30H,5-19,22-23,26H2,1-4H3
InChIKey KUPHBDIOTVYCSL-UHFFFAOYSA-N
Mol Weight 502.8 g/mol
Molecular Formula C32H54O4
Exact Mass 502.40221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8PRN6P4awRa
Name Phthalic acid, hexadecyl 4-methylhept-3-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 502.402210215 u
Formula C32H54O4
InChI InChI=1S/C32H54O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-22-26-35-31(33)28-24-20-21-25-29(28)32(34)36-30(7-3)27(4)23-6-2/h20-21,24-25,27,30H,5-19,22-23,26H2,1-4H3
InChIKey KUPHBDIOTVYCSL-UHFFFAOYSA-N
Molecular Weight 502.780 g/mol
SMILES C(C1=CC=CC=C1C(OC(CC)C(C)CCC)=O)(OCCCCCCCCCCCCCCCC)=O