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METHYL-4-[(5-METHYL-3-ISOXAZOL-YL)-AMINO]-6-OXO-7,7,7-TRIFLUORO-4-HEPTENOATE
SpectraBase Compound ID 8gQpWxNvWKA
InChI InChI=1S/C12H13F3N2O4/c1-7-5-10(17-21-7)16-8(3-4-11(19)20-2)6-9(18)12(13,14)15/h5-6H,3-4H2,1-2H3,(H,16,17)/b8-6-
InChIKey WMGPLZWVLCPYFL-VURMDHGXSA-N
Mol Weight 306.24 g/mol
Molecular Formula C12H13F3N2O4
Exact Mass 306.082741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9aOI5lYpC82
Name Methyl 4-[N-(5'-methylisoxazol-3'-yl)amino]-6-oxo-7,7,7-trifluoro-4-heptenoate
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Formula C12H13F3N2O4
InChI InChI=1S/C12H13F3N2O4/c1-7-5-10(17-21-7)16-8(3-4-11(19)20-2)6-9(18)12(13,14)15/h5-6H,3-4H2,1-2H3,(H,16,17)/b8-6-
InChIKey WMGPLZWVLCPYFL-VURMDHGXSA-N
Molecular Weight 306.241 g/mol
SMILES N(c1noc(c1)C)\C(=C/C(C(F)(F)F)=O)CCC(=O)OC
SPLASH splash10-00n0-1490000000-3240e93f72a15c6ca7db
Source of Spectrum D9-19-189-3i
Wiley ID 1695421