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Pimelic acid, 2,4,5-trichlorophenyl 4-methylpent-2-yl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2,4,5-trichlorophenyl 4-methylpent-2-yl ester
SpectraBase Compound ID 8p4YgaMVReb
InChI InChI=1S/C19H25Cl3O4/c1-12(2)9-13(3)25-18(23)7-5-4-6-8-19(24)26-17-11-15(21)14(20)10-16(17)22/h10-13H,4-9H2,1-3H3
InChIKey DJWUNTDWHXUHCJ-UHFFFAOYSA-N
Mol Weight 423.76 g/mol
Molecular Formula C19H25Cl3O4
Exact Mass 422.081842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FReJcoOVXM4
Name Pimelic acid, 2,4,5-trichlorophenyl 4-methylpent-2-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25Cl3O4
InChI InChI=1S/C19H25Cl3O4/c1-12(2)9-13(3)25-18(23)7-5-4-6-8-19(24)26-17-11-15(21)14(20)10-16(17)22/h10-13H,4-9H2,1-3H3
InChIKey DJWUNTDWHXUHCJ-UHFFFAOYSA-N
Molecular Weight 423.764 g/mol
SMILES C(CCCCCC(Oc1c(cc(c(c1)Cl)Cl)Cl)=O)(OC(CC(C)C)C)=O
SPLASH splash10-0006-9700000000-20d0620b166eaa94cddc
Source of Spectrum TIPS-2022-444-0
Wiley ID 1821961