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4-Amino-3-cyano-2-(2-fluoro-benzoylamino)-2-trifluoromethyl-pent-3-enoic acid methyl ester
SpectraBase Compound ID 3ys7chFRvQe
InChI InChI=1S/C15H13F4N3O3/c1-8(21)10(7-20)14(13(24)25-2,15(17,18)19)22-12(23)9-5-3-4-6-11(9)16/h3-6H,21H2,1-2H3,(H,22,23)/b10-8-
InChIKey STMQXHHOZYDSTM-NTMALXAHSA-N
Mol Weight 359.28 g/mol
Molecular Formula C15H13F4N3O3
Exact Mass 359.089304 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8fCAhr50E7N
Name 4-Amino-3-cyano-2-(2-fluoro-benzoylamino)-2-trifluoromethyl-pent-3-enoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13F4N3O3
InChI InChI=1S/C15H13F4N3O3/c1-8(21)10(7-20)14(13(24)25-2,15(17,18)19)22-12(23)9-5-3-4-6-11(9)16/h3-6H,21H2,1-2H3,(H,22,23)/b10-8-
InChIKey STMQXHHOZYDSTM-NTMALXAHSA-N
Molecular Weight 359.281 g/mol
SMILES N\C(=C/(C(NC(c1c(F)cccc1)=O)(C(F)(F)F)C(=O)OC)C#N)C
SPLASH splash10-00di-3922000000-d8702af8dc5a03ae2714
Synonyms (E)-4-amino-3-cyano-2-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)pent-3-enoic acid methyl ester (E)-4-amino-3-cyano-2-[[(2-fluorophenyl)-oxomethyl]amino]-2-(trifluoromethyl)-3-pentenoic acid methyl ester Methyl (3E)-4-amino-3-cyano-2-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)-3-pentenoate Methyl (E)-4-amino-3-cyano-2-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)pent-3-enoate Methyl (E)-4-azanyl-3-cyano-2-[(2-fluorophenyl)carbonylamino]-2-(trifluoromethyl)pent-3-enoate
Wiley ID 1462464