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3,3,3-trifluoro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propionic acid ethyl ester
SpectraBase Compound ID 1bQwEgAx1L9
InChI InChI=1S/C13H12F6N2O3/c1-2-24-10(22)9(13(17,18)19)21-11(23)20-8-5-3-4-7(6-8)12(14,15)16/h3-6,9H,2H2,1H3,(H2,20,21,23)
InChIKey XEPSSYVRNUWVTB-UHFFFAOYSA-N
Mol Weight 358.24 g/mol
Molecular Formula C13H12F6N2O3
Exact Mass 358.075211 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F2h1D4svkmO
Name ETHYL 3,3,3-TRIFLUORO-2-{3-[3-(TRIFLUOROMETHYL)PHENYL]UREIDO}PROPIONATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H12F6N2O3
InChI InChI=1S/C13H12F6N2O3/c1-2-24-10(22)9(13(17,18)19)21-11(23)20-8-5-3-4-7(6-8)12(14,15)16/h3-6,9H,2H2,1H3,(H2,20,21,23)
InChIKey XEPSSYVRNUWVTB-UHFFFAOYSA-N
Molecular Weight 358.0749
SMILES N(C(NC(C(OCC)=O)C(F)(F)F)=O)c1cc(C(F)(F)F)ccc1
SPLASH splash10-03di-3900000000-e6af0f1497f224ee56f8
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