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3-(5-Trichloromethylisoxazol-3-yl)propanoic acid
SpectraBase Compound ID 94cETR14xpX
InChI InChI=1S/C7H6Cl3NO3/c8-7(9,10)5-3-4(11-14-5)1-2-6(12)13/h3H,1-2H2,(H,12,13)
InChIKey WVZQETLCTXYHBF-UHFFFAOYSA-N
Mol Weight 258.49 g/mol
Molecular Formula C7H6Cl3NO3
Exact Mass 256.941326 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iurc6U4zqTS
Name 3-(5-Trichloromethylisoxazol-3-yl)propanoic acid
Alternate Name(s) 3-(5-(trichloromethyl)isoxazol-3-yl)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6Cl3NO3
InChI InChI=1S/C7H6Cl3NO3/c8-7(9,10)5-3-4(11-14-5)1-2-6(12)13/h3H,1-2H2,(H,12,13)
InChIKey WVZQETLCTXYHBF-UHFFFAOYSA-N
Molecular Weight 258.488 g/mol
SMILES OC(CCc1cc(C(Cl)(Cl)Cl)on1)=O
SPLASH splash10-00di-2090000000-aaa0e96c7750996fd4ae
Source of Spectrum Y-51-737-6a
Wiley ID 1741342