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Pimelic acid, pentachlorophenyl pentyl ester
SpectraBase Compound ID IrqiEN0VgVg
InChI InChI=1S/C18H21Cl5O4/c1-2-3-7-10-26-11(24)8-5-4-6-9-12(25)27-18-16(22)14(20)13(19)15(21)17(18)23/h2-10H2,1H3
InChIKey HWUDSMWSAPMCFF-UHFFFAOYSA-N
Mol Weight 478.6 g/mol
Molecular Formula C18H21Cl5O4
Exact Mass 475.988248 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A4KwVeBJCft
Name Pimelic acid, pentachlorophenyl pentyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21Cl5O4
InChI InChI=1S/C18H21Cl5O4/c1-2-3-7-10-26-11(24)8-5-4-6-9-12(25)27-18-16(22)14(20)13(19)15(21)17(18)23/h2-10H2,1H3
InChIKey HWUDSMWSAPMCFF-UHFFFAOYSA-N
Molecular Weight 478.627 g/mol
SMILES C(CCCCCC(Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)=O)(OCCCCC)=O
SPLASH splash10-002f-9820000000-48eb1c31d1f492d7bbf9
Source of Spectrum TIPS-2022-538-0
Wiley ID 1822055