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L4qSoH9Q5cP
spectrumID
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L4qSoH9Q5cP
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Mass Spectrum (GC)
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Ethyl 5-carbomoyl-6-oxo-4-(phenyl)-2-trifluoromethyl-1,4,5,6-tetrahydropyridine-3-carboxylate
SpectraBase Compound ID JCNKcHLe2Nt
InChI InChI=1S/C16H15F3N2O4/c1-2-25-15(24)10-9(8-6-4-3-5-7-8)11(13(20)22)14(23)21-12(10)16(17,18)19/h3-7,9,11H,2H2,1H3,(H2,20,22)(H,21,23)
InChIKey SUPJTYXXMXNYRQ-UHFFFAOYSA-N
Mol Weight 356.3 g/mol
Molecular Formula C16H15F3N2O4
Exact Mass 356.098391 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L4qSoH9Q5cP
Name Ethyl 5-carbomoyl-6-oxo-4-(phenyl)-2-trifluoromethyl-1,4,5,6-tetrahydropyridine-3-carboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15F3N2O4
InChI InChI=1S/C16H15F3N2O4/c1-2-25-15(24)10-9(8-6-4-3-5-7-8)11(13(20)22)14(23)21-12(10)16(17,18)19/h3-7,9,11H,2H2,1H3,(H2,20,22)(H,21,23)
InChIKey SUPJTYXXMXNYRQ-UHFFFAOYSA-N
Molecular Weight 356.301 g/mol
SMILES N1C(C(C(=O)N)C(C(=C1C(F)(F)F)C(=O)OCC)c1ccccc1)=O
SPLASH splash10-03dl-5009000000-ffecad6e07b170536398
Source of Spectrum F-62-2262-5
Synonyms Ethyl 5-(aminocarbonyl)-6-oxo-4-phenyl-2-(trifluoromethyl)-1,4,5,6-tetrahydro-3-pyridinecarboxylate
Wiley ID 1632444
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