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2-Hexenoic acid, (E,4S)-4-[(S)-.alpha.-methoxy-.alpha.-(trifluoromethylphenylacetyl)amino]-5-methyl-, methyl ester
SpectraBase Compound ID IbSG9nn66qq
InChI InChI=1S/C18H22F3NO4/c1-12(2)14(10-11-15(23)25-3)22-16(24)17(26-4,18(19,20)21)13-8-6-5-7-9-13/h5-12,14H,1-4H3,(H,22,24)/b11-10+
InChIKey OGKMBXAZEKNRLS-ZHACJKMWSA-N
Mol Weight 373.37 g/mol
Molecular Formula C18H22F3NO4
Exact Mass 373.150093 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G8LTIckBRq9
Name 2-HEXENOIC ACID, (E,4S)-4-[(R)-alpha-METHOXY-alpha-(TRIFLUOROMETHYLPHENYLACETYL)AMINO]-5-METHYL-, METHYL ESTER
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Formula C18H22F3NO4
InChI InChI=1S/C18H22F3NO4/c1-12(2)14(10-11-15(23)25-3)22-16(24)17(26-4,18(19,20)21)13-8-6-5-7-9-13/h5-12,14H,1-4H3,(H,22,24)/b11-10+
InChIKey OGKMBXAZEKNRLS-ZHACJKMWSA-N
Instrument Name 311A
Molecular Weight 373.1495
SMILES N(C(\C=C\C(OC)=O)C(C)C)C(=O)C(OC)(C(F)(F)F)c1ccccc1
SPLASH splash10-000i-3900000000-041da83d1338ebe77383
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany