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METHYL-(Z)-N-[4-ETHOXY-2-FLUORO-4-OXOBUT-2-ENETHIOYL]-PHENYLALANINATE
SpectraBase Compound ID 1XlveZJpjPQ
InChI InChI=1S/C16H18FNO4S/c1-3-22-14(19)10-12(17)15(23)18-13(16(20)21-2)9-11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3,(H,18,23)/b12-10-/t13-/m1/s1
InChIKey PNJQLPWQGHWYBT-KXXVWKPMSA-N
Mol Weight 339.38 g/mol
Molecular Formula C16H18FNO4S
Exact Mass 339.094057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7syLATU8u2a
Name (Z)-3-fluoro-4-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-sulfanylidene-2-butenoic acid ethyl ester
Alternate Name(s) (Z)-4-[[(1R)-1-benzyl-2-keto-2-methoxy-ethyl]amino]-3-fluoro-4-thioxo-but-2-enoic acid ethyl ester Ethyl (Z)-3-fluoranyl-4-[[(2R)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-sulfanylidene-but-2-enoate Ethyl (Z)-3-fluoro-4-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-sulfanylidenebut-2-enoate Ethyl (Z)-4-[[(1R)-1-benzyl-2-methoxy-2-oxo-ethyl]amino]-3-fluoro-4-thioxo-but-2-enoate
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Formula C16H18FNO4S
InChI InChI=1S/C16H18FNO4S/c1-3-22-14(19)10-12(17)15(23)18-13(16(20)21-2)9-11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3,(H,18,23)/b12-10-/t13-/m1/s1
InChIKey PNJQLPWQGHWYBT-KXXVWKPMSA-N
Molecular Weight 339.381 g/mol
SMILES N(C(\C(=C\C(=O)OCC)F)=S)[C@@](C(=O)OC)(Cc1ccccc1)[H]
SPLASH splash10-03e9-1903000000-8244c4c0d4274e5a7816
Source of Spectrum F-69-4676-10
Wiley ID 1595332