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2-Trifluoroacetyl-4-[2-(methoxycarbonyl)ethyl]-3-[(methoxycarbonyl)methyl]pyrrole oxime
SpectraBase Compound ID 3C10YmDU6Cn
InChI InChI=1S/C13H15F3N2O5/c1-22-9(19)4-3-7-6-17-11(8(7)5-10(20)23-2)12(18-21)13(14,15)16/h6,17,21H,3-5H2,1-2H3/b18-12+
InChIKey MYYBKMWFSRSXRF-LDADJPATSA-N
Mol Weight 336.27 g/mol
Molecular Formula C13H15F3N2O5
Exact Mass 336.093306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1m5OiXI8p6
Name 2-Trifluoroacetyl-4-[2-(methoxycarbonyl)ethyl]-3-[(methoxycarbonyl)methyl]pyrrole oxime
Alternate Name(s) 3-(4-Methoxycarbonylmethyl-5-{2,2,2-trifluoro-1-[(E)-hydroxyimino]-ethyl}-1H-pyrrol-3-yl)-propionic acid methyl ester Methyl 3-[4-[(2Z)-2-(hydroxyimino)-2-methoxyethyl]-5-(trifluoroacetyl)-1H-pyrrol-3-yl]propanoate
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Formula C13H15F3N2O5
InChI InChI=1S/C13H15F3N2O5/c1-22-9(19)4-3-7-6-17-11(8(7)5-10(20)23-2)12(18-21)13(14,15)16/h6,17,21H,3-5H2,1-2H3/b18-12+
InChIKey MYYBKMWFSRSXRF-LDADJPATSA-N
Molecular Weight 336.267 g/mol
SMILES O\N=C/(c1c(c(CCC(=O)OC)c[nH]1)CC(=O)OC)C(F)(F)F
SPLASH splash10-0f9i-0096000000-bb0a879d63b1ea25be00
Source of Spectrum F-48-4708-34
Wiley ID 1332030