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Pimelic acid, 4-chloro-3-methylphenyl decyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, 4-chloro-3-methylphenyl decyl ester
SpectraBase Compound ID KRAcd0xwdgm
InChI InChI=1S/C24H37ClO4/c1-3-4-5-6-7-8-9-13-18-28-23(26)14-11-10-12-15-24(27)29-21-16-17-22(25)20(2)19-21/h16-17,19H,3-15,18H2,1-2H3
InChIKey OUNCJSMOORGIPC-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 AsoqqP9cEnw
Name Pimelic acid, 4-chloro-3-methylphenyl decyl 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/c1-3-4-5-6-7-8-9-13-18-28-23(26)14-11-10-12-15-24(27)29-21-16-17-22(25)20(2)19-21/h16-17,19H,3-15,18H2,1-2H3
InChIKey OUNCJSMOORGIPC-UHFFFAOYSA-N
Molecular Weight 425.009 g/mol
SMILES C(OC1=CC=C(C(=C1)C)Cl)(=O)CCCCCC(OCCCCCCCCCC)=O