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Pimelic acid, 2,6-dichlorobenzyl heptyl ester
SpectraBase Compound ID CbVwWGxBQtC
InChI InChI=1S/C21H30Cl2O4/c1-2-3-4-5-9-15-26-20(24)13-7-6-8-14-21(25)27-16-17-18(22)11-10-12-19(17)23/h10-12H,2-9,13-16H2,1H3
InChIKey MJGDMJSNSYNVGH-UHFFFAOYSA-N
Mol Weight 417.37 g/mol
Molecular Formula C21H30Cl2O4
Exact Mass 416.152115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BczZGNHhwSe
Name Pimelic acid, 2,6-dichlorobenzyl heptyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30Cl2O4
InChI InChI=1S/C21H30Cl2O4/c1-2-3-4-5-9-15-26-20(24)13-7-6-8-14-21(25)27-16-17-18(22)11-10-12-19(17)23/h10-12H,2-9,13-16H2,1H3
InChIKey MJGDMJSNSYNVGH-UHFFFAOYSA-N
Molecular Weight 417.373 g/mol
SMILES C(CCCCCC(OCc1c(cccc1Cl)Cl)=O)(OCCCCCCC)=O
SPLASH splash10-0a4l-5910000000-acfdab5c1120bb13120c
Source of Spectrum TIPS-2022-740-0
Wiley ID 1822257