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Phthalic acid, 2-acethylphenyl hexyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-acethylphenyl hexyl ester
SpectraBase Compound ID 41tsStuWKVn
InChI InChI=1S/C22H24O5/c1-3-4-5-10-15-26-21(24)18-12-6-7-13-19(18)22(25)27-20-14-9-8-11-17(20)16(2)23/h6-9,11-14H,3-5,10,15H2,1-2H3
InChIKey MUFXDLSDKZVDNN-UHFFFAOYSA-N
Mol Weight 368.43 g/mol
Molecular Formula C22H24O5
Exact Mass 368.162374 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 97Sg9m4aRgl
Name Phthalic acid, 2-acethylphenyl hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 368.162373868 u
Formula C22H24O5
InChI InChI=1S/C22H24O5/c1-3-4-5-10-15-26-21(24)18-12-6-7-13-19(18)22(25)27-20-14-9-8-11-17(20)16(2)23/h6-9,11-14H,3-5,10,15H2,1-2H3
InChIKey MUFXDLSDKZVDNN-UHFFFAOYSA-N
Molecular Weight 368.429 g/mol
SMILES C(OC(C1=C(C=CC=C1)C(=O)OC1=CC=CC=C1C(=O)C)=O)CCCCC