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Pimelic acid, 2,3,6-trichlorophenyl isobutyl ester
SpectraBase Compound ID 42JZzH5el7k
InChI InChI=1S/C17H21Cl3O4/c1-11(2)10-23-14(21)6-4-3-5-7-15(22)24-17-13(19)9-8-12(18)16(17)20/h8-9,11H,3-7,10H2,1-2H3
InChIKey MKARKEDGELDKHZ-UHFFFAOYSA-N
Mol Weight 395.71 g/mol
Molecular Formula C17H21Cl3O4
Exact Mass 394.050542 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lpb8TyWX3MV
Name Pimelic acid, 2,3,6-trichlorophenyl isobutyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21Cl3O4
InChI InChI=1S/C17H21Cl3O4/c1-11(2)10-23-14(21)6-4-3-5-7-15(22)24-17-13(19)9-8-12(18)16(17)20/h8-9,11H,3-7,10H2,1-2H3
InChIKey MKARKEDGELDKHZ-UHFFFAOYSA-N
Molecular Weight 395.710 g/mol
SMILES C(CCCCCC(Oc1c(c(ccc1Cl)Cl)Cl)=O)(OCC(C)C)=O
SPLASH splash10-054p-8900000000-bbebdf860f557f344a12
Source of Spectrum TIPS-2022-582-0
Wiley ID 1822099