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Glutaric acid, 8-chlorooctyl 4-acetylphenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 8-chlorooctyl 4-acetylphenyl ester
SpectraBase Compound ID 1syYja5CxrH
InChI InChI=1S/C21H29ClO5/c1-17(23)18-11-13-19(14-12-18)27-21(25)10-8-9-20(24)26-16-7-5-3-2-4-6-15-22/h11-14H,2-10,15-16H2,1H3
InChIKey XHNYYPZCPYUGGA-UHFFFAOYSA-N
Mol Weight 396.91 g/mol
Molecular Formula C21H29ClO5
Exact Mass 396.170352 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1X97JjECQTv
Name Glutaric acid, 8-chlorooctyl 4-acetylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.170351729 u
Formula C21H29ClO5
InChI InChI=1S/C21H29ClO5/c1-17(23)18-11-13-19(14-12-18)27-21(25)10-8-9-20(24)26-16-7-5-3-2-4-6-15-22/h11-14H,2-10,15-16H2,1H3
InChIKey XHNYYPZCPYUGGA-UHFFFAOYSA-N
Molecular Weight 396.911 g/mol
SMILES C(CCC(OCCCCCCCCCl)=O)C(OC1=CC=C(C(C)=O)C=C1)=O