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Acetic acid, (4-chlorophenoxy)-, heptadecyl ester

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

Acetic acid, (4-chlorophenoxy)-, heptadecyl ester
SpectraBase Compound ID IdKIbeXMZI
InChI InChI=1S/C25H41ClO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28-25(27)22-29-24-19-17-23(26)18-20-24/h17-20H,2-16,21-22H2,1H3
InChIKey GYFITDNLYCLDPF-UHFFFAOYSA-N
Mol Weight 425.1 g/mol
Molecular Formula C25H41ClO3
Exact Mass 424.274423 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 37uHEGTD5LZ
Name Acetic acid, (4-chlorophenoxy)-, heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.274422877 u
Formula C25H41ClO3
InChI InChI=1S/C25H41ClO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28-25(27)22-29-24-19-17-23(26)18-20-24/h17-20H,2-16,21-22H2,1H3
InChIKey GYFITDNLYCLDPF-UHFFFAOYSA-N
Molecular Weight 425.053 g/mol
SMILES C(C(OCCCCCCCCCCCCCCCCC)=O)OC1=CC=C(C=C1)Cl