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Pimelic acid, pentachlorophenyl isobutyl ester
SpectraBase Compound ID JIqg8k5NPuP
InChI InChI=1S/C17H19Cl5O4/c1-9(2)8-25-10(23)6-4-3-5-7-11(24)26-17-15(21)13(19)12(18)14(20)16(17)22/h9H,3-8H2,1-2H3
InChIKey STVKJAOPQWYHES-UHFFFAOYSA-N
Mol Weight 464.6 g/mol
Molecular Formula C17H19Cl5O4
Exact Mass 461.972598 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7pl0elMXYV2
Name Pimelic acid, pentachlorophenyl isobutyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19Cl5O4
InChI InChI=1S/C17H19Cl5O4/c1-9(2)8-25-10(23)6-4-3-5-7-11(24)26-17-15(21)13(19)12(18)14(20)16(17)22/h9H,3-8H2,1-2H3
InChIKey STVKJAOPQWYHES-UHFFFAOYSA-N
Molecular Weight 464.600 g/mol
SMILES C(CCCCCC(Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)=O)(OCC(C)C)=O
SPLASH splash10-054p-8910000000-e9d4622d412cc9a6d24d
Source of Spectrum TIPS-2022-536-0
Wiley ID 1822053