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Pimelic acid, pentachlorophenyl propyl ester
SpectraBase Compound ID BfWzWdjsjob
InChI InChI=1S/C16H17Cl5O4/c1-2-8-24-9(22)6-4-3-5-7-10(23)25-16-14(20)12(18)11(17)13(19)15(16)21/h2-8H2,1H3
InChIKey LQJJYQORJREYLS-UHFFFAOYSA-N
Mol Weight 450.6 g/mol
Molecular Formula C16H17Cl5O4
Exact Mass 447.956948 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8He8Gsnc5WO
Name Pimelic acid, pentachlorophenyl propyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17Cl5O4
InChI InChI=1S/C16H17Cl5O4/c1-2-8-24-9(22)6-4-3-5-7-10(23)25-16-14(20)12(18)11(17)13(19)15(16)21/h2-8H2,1H3
InChIKey LQJJYQORJREYLS-UHFFFAOYSA-N
Molecular Weight 450.573 g/mol
SMILES C(CCCCCC(Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)=O)(OCCC)=O
SPLASH splash10-004l-8910000000-7b3c8a9b43693298974f
Source of Spectrum TIPS-2022-535-0
Wiley ID 1822052