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Pimelic acid, 2,3,5-trichlorophenyl hexyl ester
SpectraBase Compound ID 5pmA9z4FH1h
InChI InChI=1S/C19H25Cl3O4/c1-2-3-4-8-11-25-17(23)9-6-5-7-10-18(24)26-16-13-14(20)12-15(21)19(16)22/h12-13H,2-11H2,1H3
InChIKey KQYHZUYNARCKIF-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 Ly58Nf4lwjS
Name Pimelic acid, 2,3,5-trichlorophenyl hexyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25Cl3O4
InChI InChI=1S/C19H25Cl3O4/c1-2-3-4-8-11-25-17(23)9-6-5-7-10-18(24)26-16-13-14(20)12-15(21)19(16)22/h12-13H,2-11H2,1H3
InChIKey KQYHZUYNARCKIF-UHFFFAOYSA-N
Molecular Weight 423.764 g/mol
SMILES C(CCCCCC(Oc1c(c(cc(c1)Cl)Cl)Cl)=O)(OCCCCCC)=O
SPLASH splash10-002f-9610000000-a7256957a5f249208247
Source of Spectrum TIPS-2022-456-0
Wiley ID 1821973