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Pimelic acid, pentachlorophenyl ethyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, pentachlorophenyl ethyl ester
SpectraBase Compound ID 3gwOx81pxH
InChI InChI=1S/C15H15Cl5O4/c1-2-23-8(21)6-4-3-5-7-9(22)24-15-13(19)11(17)10(16)12(18)14(15)20/h2-7H2,1H3
InChIKey IRMOMRGTHYDLSP-UHFFFAOYSA-N
Mol Weight 436.5 g/mol
Molecular Formula C15H15Cl5O4
Exact Mass 433.941297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F2ysdmbD0RE
Name Pimelic acid, pentachlorophenyl ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15Cl5O4
InChI InChI=1S/C15H15Cl5O4/c1-2-23-8(21)6-4-3-5-7-9(22)24-15-13(19)11(17)10(16)12(18)14(15)20/h2-7H2,1H3
InChIKey IRMOMRGTHYDLSP-UHFFFAOYSA-N
Molecular Weight 436.546 g/mol
SMILES C(CCCCCC(Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)=O)(OCC)=O
SPLASH splash10-00b9-8910000000-3d34a559b7fa797bde01
Source of Spectrum TIPS-2022-534-0
Wiley ID 1822051