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Pimelic acid, 2,6-dichlorobenzyl dodecyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2,6-dichlorobenzyl dodecyl ester
SpectraBase Compound ID 4fUmV2yzvPA
InChI InChI=1S/C26H40Cl2O4/c1-2-3-4-5-6-7-8-9-10-14-20-31-25(29)18-12-11-13-19-26(30)32-21-22-23(27)16-15-17-24(22)28/h15-17H,2-14,18-21H2,1H3
InChIKey KFIURKPUEJFHES-UHFFFAOYSA-N
Mol Weight 487.5 g/mol
Molecular Formula C26H40Cl2O4
Exact Mass 486.230365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5zeL1CXbWWP
Name Pimelic acid, 2,6-dichlorobenzyl dodecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H40Cl2O4
InChI InChI=1S/C26H40Cl2O4/c1-2-3-4-5-6-7-8-9-10-14-20-31-25(29)18-12-11-13-19-26(30)32-21-22-23(27)16-15-17-24(22)28/h15-17H,2-14,18-21H2,1H3
InChIKey KFIURKPUEJFHES-UHFFFAOYSA-N
Molecular Weight 487.508 g/mol
SMILES C(CCCCCC(OCc1c(cccc1Cl)Cl)=O)(OCCCCCCCCCCCC)=O
SPLASH splash10-0a4l-5900000000-ee7cbcc87221da428a71
Source of Spectrum TIPS-2022-745-0
Wiley ID 1822262