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Pimelic acid, 4-chloro-2-methylphenyl nonyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, 4-chloro-2-methylphenyl nonyl ester
SpectraBase Compound ID L6ASldp1UO3
InChI InChI=1S/C23H35ClO4/c1-3-4-5-6-7-8-12-17-27-22(25)13-10-9-11-14-23(26)28-21-16-15-20(24)18-19(21)2/h15-16,18H,3-14,17H2,1-2H3
InChIKey JKBKCSHWGPPISB-UHFFFAOYSA-N
Mol Weight 411.0 g/mol
Molecular Formula C23H35ClO4
Exact Mass 410.222387 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5gElLQvizcD
Name Pimelic acid, 4-chloro-2-methylphenyl nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.222387303 u
Formula C23H35ClO4
InChI InChI=1S/C23H35ClO4/c1-3-4-5-6-7-8-12-17-27-22(25)13-10-9-11-14-23(26)28-21-16-15-20(24)18-19(21)2/h15-16,18H,3-14,17H2,1-2H3
InChIKey JKBKCSHWGPPISB-UHFFFAOYSA-N
Molecular Weight 410.982 g/mol
SMILES C(CCCC(OCCCCCCCCC)=O)CC(OC=1C=CC(=CC1C)Cl)=O