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Pimelic acid, 2,3,5-trichlorophenyl heptyl ester
SpectraBase Compound ID HMe1anNL69K
InChI InChI=1S/C20H27Cl3O4/c1-2-3-4-5-9-12-26-18(24)10-7-6-8-11-19(25)27-17-14-15(21)13-16(22)20(17)23/h13-14H,2-12H2,1H3
InChIKey NZVQCZJSMRQYGI-UHFFFAOYSA-N
Mol Weight 437.79 g/mol
Molecular Formula C20H27Cl3O4
Exact Mass 436.097492 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6WAXKeWUTKQ
Name Pimelic acid, 2,3,5-trichlorophenyl heptyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27Cl3O4
InChI InChI=1S/C20H27Cl3O4/c1-2-3-4-5-9-12-26-18(24)10-7-6-8-11-19(25)27-17-14-15(21)13-16(22)20(17)23/h13-14H,2-12H2,1H3
InChIKey NZVQCZJSMRQYGI-UHFFFAOYSA-N
Molecular Weight 437.791 g/mol
SMILES C(CCCCCC(Oc1c(c(cc(c1)Cl)Cl)Cl)=O)(OCCCCCCC)=O
SPLASH splash10-0006-9710000000-dbd218573c132e525740
Source of Spectrum TIPS-2022-457-0
Wiley ID 1821974