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Pimelic acid, pentachlorophenyl hexyl ester
SpectraBase Compound ID 93GdWqvSkkk
InChI InChI=1S/C19H23Cl5O4/c1-2-3-4-8-11-27-12(25)9-6-5-7-10-13(26)28-19-17(23)15(21)14(20)16(22)18(19)24/h2-11H2,1H3
InChIKey QRBBORCTMIMOOX-UHFFFAOYSA-N
Mol Weight 492.7 g/mol
Molecular Formula C19H23Cl5O4
Exact Mass 490.003898 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 13swYnolee2
Name Pimelic acid, pentachlorophenyl hexyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23Cl5O4
InChI InChI=1S/C19H23Cl5O4/c1-2-3-4-8-11-27-12(25)9-6-5-7-10-13(26)28-19-17(23)15(21)14(20)16(22)18(19)24/h2-11H2,1H3
InChIKey QRBBORCTMIMOOX-UHFFFAOYSA-N
Molecular Weight 492.654 g/mol
SMILES C(CCCCCC(Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)=O)(OCCCCCC)=O
SPLASH splash10-002f-9720000000-d8bf7c2ca083b1ea9623
Source of Spectrum TIPS-2022-540-0
Wiley ID 1822057