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Pimelic acid, 3-chlorophenyl undecyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, 3-chlorophenyl undecyl ester
SpectraBase Compound ID 7hP9yeGEmld
InChI InChI=1S/C24H37ClO4/c1-2-3-4-5-6-7-8-9-13-19-28-23(26)17-11-10-12-18-24(27)29-22-16-14-15-21(25)20-22/h14-16,20H,2-13,17-19H2,1H3
InChIKey FTDQRJJMQNSUEZ-UHFFFAOYSA-N
Mol Weight 425.0 g/mol
Molecular Formula C24H37ClO4
Exact Mass 424.238037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6XGQlxMXClx
Name Pimelic acid, 3-chlorophenyl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.238037367 u
Formula C24H37ClO4
InChI InChI=1S/C24H37ClO4/c1-2-3-4-5-6-7-8-9-13-19-28-23(26)17-11-10-12-18-24(27)29-22-16-14-15-21(25)20-22/h14-16,20H,2-13,17-19H2,1H3
InChIKey FTDQRJJMQNSUEZ-UHFFFAOYSA-N
Molecular Weight 425.009 g/mol
SMILES C(OC1=CC=CC(=C1)Cl)(=O)CCCCCC(OCCCCCCCCCCC)=O