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Pimelic acid, 2,3,5-trichlorophenyl 4-methylpent-2-yl ester
SpectraBase Compound ID FYFdW87nTOA
InChI InChI=1S/C19H25Cl3O4/c1-12(2)9-13(3)25-17(23)7-5-4-6-8-18(24)26-16-11-14(20)10-15(21)19(16)22/h10-13H,4-9H2,1-3H3
InChIKey YKIHWCBVSZMIOQ-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 Cg7ZO0e6Ih7
Name Pimelic acid, 2,3,5-trichlorophenyl 4-methylpent-2-yl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25Cl3O4
InChI InChI=1S/C19H25Cl3O4/c1-12(2)9-13(3)25-17(23)7-5-4-6-8-18(24)26-16-11-14(20)10-15(21)19(16)22/h10-13H,4-9H2,1-3H3
InChIKey YKIHWCBVSZMIOQ-UHFFFAOYSA-N
Molecular Weight 423.764 g/mol
SMILES C(CCCCCC(Oc1c(c(cc(c1)Cl)Cl)Cl)=O)(OC(CC(C)C)C)=O
SPLASH splash10-0006-9500000000-576ce0bf859c36c2c85d
Source of Spectrum TIPS-2022-455-0
Wiley ID 1821972