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Pimelic acid, 3,5-dichlorophenyl heptyl ester
SpectraBase Compound ID 5kiW4IRfvUw
InChI InChI=1S/C20H28Cl2O4/c1-2-3-4-5-9-12-25-19(23)10-7-6-8-11-20(24)26-18-14-16(21)13-17(22)15-18/h13-15H,2-12H2,1H3
InChIKey DXQHJEINOSYLTH-UHFFFAOYSA-N
Mol Weight 403.35 g/mol
Molecular Formula C20H28Cl2O4
Exact Mass 402.136465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AiFVN04jXBo
Name Pimelic acid, 3,5-dichlorophenyl heptyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28Cl2O4
InChI InChI=1S/C20H28Cl2O4/c1-2-3-4-5-9-12-25-19(23)10-7-6-8-11-20(24)26-18-14-16(21)13-17(22)15-18/h13-15H,2-12H2,1H3
InChIKey DXQHJEINOSYLTH-UHFFFAOYSA-N
Molecular Weight 403.346 g/mol
SMILES C(CCCCCC(Oc1cc(cc(c1)Cl)Cl)=O)(OCCCCCCC)=O
SPLASH splash10-002f-9810000000-838269b8ec4eff112b5f
Source of Spectrum TIPS-2022-652-0
Wiley ID 1822169