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(2S,3R)-methyl 3-allyl-4-oxo-2-(4-(trifluoromethyl)phenyl)-3,4-dihydropyridine-1(2H)-carboxylate
SpectraBase Compound ID 3uvYRvEq7qm
InChI InChI=1S/C17H16F3NO3/c1-3-4-13-14(22)9-10-21(16(23)24-2)15(13)11-5-7-12(8-6-11)17(18,19)20/h3,5-10,13,15H,1,4H2,2H3/t13-,15+/m0/s1
InChIKey FYKQYHFXGHOIRW-DZGCQCFKSA-N
Mol Weight 339.31 g/mol
Molecular Formula C17H16F3NO3
Exact Mass 339.108228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GkiVrCxHbNw
Name (2S,3R)-methyl 3-allyl-4-oxo-2-(4-(trifluoromethyl)phenyl)-3,4-dihydropyridine-1(2H)-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16F3NO3
InChI InChI=1S/C17H16F3NO3/c1-3-4-13-14(22)9-10-21(16(23)24-2)15(13)11-5-7-12(8-6-11)17(18,19)20/h3,5-10,13,15H,1,4H2,2H3/t13-,15+/m0/s1
InChIKey FYKQYHFXGHOIRW-DZGCQCFKSA-N
Literature Reference DOI 10.1021/ol500498m
Molecular Weight 339.314 g/mol
SMILES [C@@]1([C@@](c2ccc(cc2)C(F)(F)F)(N(C(OC)=O)C=CC1=O)[H])(CC=C)[H]
SPLASH splash10-002f-2911000000-02fd56bb2a190e0ce5b6
Source of Spectrum A1-16-1944/SMS9-5e
Wiley ID 1749337