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Pimelic acid, 2,3,4,6-tetrachlorophenyl butyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2,3,4,6-tetrachlorophenyl butyl ester
SpectraBase Compound ID BoBOjxX6R3B
InChI InChI=1S/C17H20Cl4O4/c1-2-3-9-24-13(22)7-5-4-6-8-14(23)25-17-12(19)10-11(18)15(20)16(17)21/h10H,2-9H2,1H3
InChIKey PQOOVOCYVTVXJT-UHFFFAOYSA-N
Mol Weight 430.2 g/mol
Molecular Formula C17H20Cl4O4
Exact Mass 428.01157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JNyl3dV2FDA
Name Pimelic acid, 2,3,4,6-tetrachlorophenyl butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20Cl4O4
InChI InChI=1S/C17H20Cl4O4/c1-2-3-9-24-13(22)7-5-4-6-8-14(23)25-17-12(19)10-11(18)15(20)16(17)21/h10H,2-9H2,1H3
InChIKey PQOOVOCYVTVXJT-UHFFFAOYSA-N
Molecular Weight 430.155 g/mol
SMILES C(CCCCCC(Oc1c(c(c(cc1Cl)Cl)Cl)Cl)=O)(OCCCC)=O
SPLASH splash10-004m-8910000000-d842cebbec3ab261fbf7
Source of Spectrum TIPS-2022-545-0
Wiley ID 1822062