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Acetic acid, (4-chloro-2-methylphenoxy)-, octadecyl ester

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

Acetic acid, (4-chloro-2-methylphenoxy)-, octadecyl ester
SpectraBase Compound ID ByQ5Z6Orqp7
InChI InChI=1S/C27H45ClO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-30-27(29)23-31-26-20-19-25(28)22-24(26)2/h19-20,22H,3-18,21,23H2,1-2H3
InChIKey OWCNDGYJAPUIET-UHFFFAOYSA-N
Mol Weight 453.1 g/mol
Molecular Formula C27H45ClO3
Exact Mass 452.305723 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4nRhjcMwGbF
Name Acetic acid, (4-chloro-2-methylphenoxy)-, octadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.305723006 u
Formula C27H45ClO3
InChI InChI=1S/C27H45ClO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-30-27(29)23-31-26-20-19-25(28)22-24(26)2/h19-20,22H,3-18,21,23H2,1-2H3
InChIKey OWCNDGYJAPUIET-UHFFFAOYSA-N
Molecular Weight 453.107 g/mol
SMILES C(C(=O)OCCCCCCCCCCCCCCCCCC)OC=1C=CC(=CC1C)Cl