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Pimelic acid, 2,6-dichlorobenzyl undecyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2,6-dichlorobenzyl undecyl ester
SpectraBase Compound ID Fh8dMHzcLvu
InChI InChI=1S/C25H38Cl2O4/c1-2-3-4-5-6-7-8-9-13-19-30-24(28)17-11-10-12-18-25(29)31-20-21-22(26)15-14-16-23(21)27/h14-16H,2-13,17-20H2,1H3
InChIKey HFAZRUQNGPJYDX-UHFFFAOYSA-N
Mol Weight 473.5 g/mol
Molecular Formula C25H38Cl2O4
Exact Mass 472.214715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FFtKiVlCSdP
Name Pimelic acid, 2,6-dichlorobenzyl undecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38Cl2O4
InChI InChI=1S/C25H38Cl2O4/c1-2-3-4-5-6-7-8-9-13-19-30-24(28)17-11-10-12-18-25(29)31-20-21-22(26)15-14-16-23(21)27/h14-16H,2-13,17-20H2,1H3
InChIKey HFAZRUQNGPJYDX-UHFFFAOYSA-N
Molecular Weight 473.481 g/mol
SMILES C(CCCCCC(OCc1c(cccc1Cl)Cl)=O)(OCCCCCCCCCCC)=O
SPLASH splash10-0a4l-5910000000-111b9e2b3a6a2db0ef2f
Source of Spectrum TIPS-2022-744-0
Wiley ID 1822261