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Pimelic acid, 2,3,6-trichlorophenyl 4-methylpent-2-yl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 2,3,6-trichlorophenyl 4-methylpent-2-yl ester
SpectraBase Compound ID 723OBOJJE4s
InChI InChI=1S/C19H25Cl3O4/c1-12(2)11-13(3)25-16(23)7-5-4-6-8-17(24)26-19-15(21)10-9-14(20)18(19)22/h9-10,12-13H,4-8,11H2,1-3H3
InChIKey XYPBJNDWNDCSBV-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 4AsMBvUfac6
Name Pimelic acid, 2,3,6-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)11-13(3)25-16(23)7-5-4-6-8-17(24)26-19-15(21)10-9-14(20)18(19)22/h9-10,12-13H,4-8,11H2,1-3H3
InChIKey XYPBJNDWNDCSBV-UHFFFAOYSA-N
Molecular Weight 423.764 g/mol
SMILES C(CCCCCC(Oc1c(c(ccc1Cl)Cl)Cl)=O)(OC(CC(C)C)C)=O
SPLASH splash10-0006-9811000000-1560e63b84c846a9d4e0
Source of Spectrum TIPS-2022-585-0
Wiley ID 1822102