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Glutaric acid, 8-chlorooctyl 1-naphthyl ester
SpectraBase Compound ID F6qqbjNJCzW
InChI InChI=1S/C23H29ClO4/c24-17-7-3-1-2-4-8-18-27-22(25)15-10-16-23(26)28-21-14-9-12-19-11-5-6-13-20(19)21/h5-6,9,11-14H,1-4,7-8,10,15-18H2
InChIKey FCNHUYFENYFNMC-UHFFFAOYSA-N
Mol Weight 404.93 g/mol
Molecular Formula C23H29ClO4
Exact Mass 404.175437 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 172hQueJmBa
Name Glutaric acid, 8-chlorooctyl 1-naphthyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.175437110 u
Formula C23H29ClO4
InChI InChI=1S/C23H29ClO4/c24-17-7-3-1-2-4-8-18-27-22(25)15-10-16-23(26)28-21-14-9-12-19-11-5-6-13-20(19)21/h5-6,9,11-14H,1-4,7-8,10,15-18H2
InChIKey FCNHUYFENYFNMC-UHFFFAOYSA-N
Molecular Weight 404.934 g/mol
SMILES C(CCC(OCCCCCCCCCl)=O)C(OC=1C2=C(C=CC1)C=CC=C2)=O