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Pimelic acid, 2,3,5-trichlorophenyl pentyl ester
SpectraBase Compound ID BHU2Owvw7JR
InChI InChI=1S/C18H23Cl3O4/c1-2-3-7-10-24-16(22)8-5-4-6-9-17(23)25-15-12-13(19)11-14(20)18(15)21/h11-12H,2-10H2,1H3
InChIKey PVZKODBDXNLOQT-UHFFFAOYSA-N
Mol Weight 409.74 g/mol
Molecular Formula C18H23Cl3O4
Exact Mass 408.066192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0dhLEh25ke
Name Pimelic acid, 2,3,5-trichlorophenyl pentyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23Cl3O4
InChI InChI=1S/C18H23Cl3O4/c1-2-3-7-10-24-16(22)8-5-4-6-9-17(23)25-15-12-13(19)11-14(20)18(15)21/h11-12H,2-10H2,1H3
InChIKey PVZKODBDXNLOQT-UHFFFAOYSA-N
Molecular Weight 409.737 g/mol
SMILES C(CCCCCC(Oc1c(c(cc(c1)Cl)Cl)Cl)=O)(OCCCCC)=O
SPLASH splash10-0006-9510000000-c0e451ebfc9afb9fc648
Source of Spectrum TIPS-2022-454-0
Wiley ID 1821971