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Pimelic acid, 2-chloro-5-methylphenyl tetradecyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2-chloro-5-methylphenyl tetradecyl ester
SpectraBase Compound ID GrynlD8Y48z
InChI InChI=1S/C28H45ClO4/c1-3-4-5-6-7-8-9-10-11-12-13-17-22-32-27(30)18-15-14-16-19-28(31)33-26-23-24(2)20-21-25(26)29/h20-21,23H,3-19,22H2,1-2H3
InChIKey MXSPTNMGVBOSSM-UHFFFAOYSA-N
Mol Weight 481.1 g/mol
Molecular Formula C28H45ClO4
Exact Mass 480.300638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ekJworzavG
Name Pimelic acid, 2-chloro-5-methylphenyl tetradecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H45ClO4
InChI InChI=1S/C28H45ClO4/c1-3-4-5-6-7-8-9-10-11-12-13-17-22-32-27(30)18-15-14-16-19-28(31)33-26-23-24(2)20-21-25(26)29/h20-21,23H,3-19,22H2,1-2H3
InChIKey MXSPTNMGVBOSSM-UHFFFAOYSA-N
Molecular Weight 481.117 g/mol
SMILES C(CCCCCC(Oc1cc(ccc1Cl)C)=O)(OCCCCCCCCCCCCCC)=O
SPLASH splash10-0006-7900000000-0d3ea4a079e7aa4265aa
Source of Spectrum TIPS-2022-759-0
Wiley ID 1822276