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Pimelic acid, pentachlorophenyl butyl ester
SpectraBase Compound ID KHCI99Slqir
InChI InChI=1S/C17H19Cl5O4/c1-2-3-9-25-10(23)7-5-4-6-8-11(24)26-17-15(21)13(19)12(18)14(20)16(17)22/h2-9H2,1H3
InChIKey WBXOWQDXOLUSOD-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 CcxyoCxo5NR
Name Pimelic acid, pentachlorophenyl butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19Cl5O4
InChI InChI=1S/C17H19Cl5O4/c1-2-3-9-25-10(23)7-5-4-6-8-11(24)26-17-15(21)13(19)12(18)14(20)16(17)22/h2-9H2,1H3
InChIKey WBXOWQDXOLUSOD-UHFFFAOYSA-N
Molecular Weight 464.600 g/mol
SMILES C(CCCCCC(Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)=O)(OCCCC)=O
SPLASH splash10-056v-8910000000-b17d01b0cbfc103f4fb7
Source of Spectrum TIPS-2022-537-0
Wiley ID 1822054