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Propanoic acid, 3,3,3-trifluoro-2-[(2-furanylcarbonyl)amino]-2-(2-pyrimidinylamino)-, ethyl ester
SpectraBase Compound ID SbuFQNvoYS
InChI InChI=1S/C14H13F3N4O4/c1-2-24-11(23)13(14(15,16)17,21-12-18-6-4-7-19-12)20-10(22)9-5-3-8-25-9/h3-8H,2H2,1H3,(H,20,22)(H,18,19,21)
InChIKey YQRUGDNBDOIHAB-UHFFFAOYSA-N
Mol Weight 358.28 g/mol
Molecular Formula C14H13F3N4O4
Exact Mass 358.088889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3gELSwAbI
Name Propanoic acid, 3,3,3-trifluoro-2-[(2-furanylcarbonyl)amino]-2-(2-pyrimidinylamino)-, ethyl ester
Alternate Name(s) 3,3,3-trifluoro-2-[[2-furanyl(oxo)methyl]amino]-2-(2-pyrimidinylamino)propanoic acid ethyl ester Ethyl 3,3,3-trifluoro-2-(furan-2-carbonylamino)-2-(pyrimidin-2-ylamino)propanoate Ethyl 3,3,3-tris(fluoranyl)-2-(furan-2-ylcarbonylamino)-2-(pyrimidin-2-ylamino)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13F3N4O4
InChI InChI=1S/C14H13F3N4O4/c1-2-24-11(23)13(14(15,16)17,21-12-18-6-4-7-19-12)20-10(22)9-5-3-8-25-9/h3-8H,2H2,1H3,(H,20,22)(H,18,19,21)
InChIKey YQRUGDNBDOIHAB-UHFFFAOYSA-N
Molecular Weight 358.277 g/mol
SMILES N(C(c1ccco1)=O)C(C(OCC)=O)(C(F)(F)F)Nc1ncccn1
SPLASH splash10-000j-9160000000-1a9cd889d3e1ba66331e
Source of Spectrum IY-2-4909-0
Wiley ID 1657073