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(S)-ethyl 2-(1-(4-fluorobenzyl)-2,5-dioxopyrrolidin-3-yl)buta-2,3-dienoate
SpectraBase Compound ID 1cKI0307SHb
InChI InChI=1S/C17H16FNO4/c1-3-13(17(22)23-4-2)14-9-15(20)19(16(14)21)10-11-5-7-12(18)8-6-11/h5-8,14H,1,4,9-10H2,2H3/t14-/m0/s1
InChIKey CCZWISWBWOLZIA-AWEZNQCLSA-N
Mol Weight 317.32 g/mol
Molecular Formula C17H16FNO4
Exact Mass 317.106336 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ggpTS2wVZ7
Name (S)-ethyl 2-(1-(4-fluorobenzyl)-2,5-dioxopyrrolidin-3-yl)buta-2,3-dienoate
Alternate Name(s) 2-[(3S)-1-[(4-fluorophenyl)methyl]-2,5-dioxo-3-pyrrolidinyl]buta-2,3-dienoic acid ethyl ester Ethyl 2-[(3S)-1-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]buta-2,3-dienoate Ethyl 2-[(3S)-1-[(4-fluorophenyl)methyl]-2,5-dioxo-pyrrolidin-3-yl]buta-2,3-dienoate Ethyl 2-[(3S)-1-[(4-fluorophenyl)methyl]-2,5-bis(oxidanylidene)pyrrolidin-3-yl]buta-2,3-dienoate
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Formula C17H16FNO4
InChI InChI=1S/C17H16FNO4/c1-3-13(17(22)23-4-2)14-9-15(20)19(16(14)21)10-11-5-7-12(18)8-6-11/h5-8,14H,1,4,9-10H2,2H3/t14-/m0/s1
InChIKey CCZWISWBWOLZIA-AWEZNQCLSA-N
Literature Reference DOI 10.1002/adsc.201100434
Molecular Weight 317.316 g/mol
SMILES [C@]1(C(=O)N(Cc2ccc(cc2)F)C(=O)C1)(C(C(OCC)=O)=C=C)[H]
SPLASH splash10-0aor-4914000000-e96543ddc15c1ba3a02d
Source of Spectrum ASC-353-1973/SM36-3hh
Wiley ID 1762379