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2-[4-(Ethoxycarbonyl)-2-(benzoylimino)thiazol-3(2H)-yl]-3-methylbutanoic acid
SpectraBase Compound ID KQGOUaKGE2J
InChI InChI=1S/C18H20N2O5S/c1-4-25-17(24)13-10-26-18(20(13)14(11(2)3)16(22)23)19-15(21)12-8-6-5-7-9-12/h5-11,14H,4H2,1-3H3,(H,22,23)/b19-18-
InChIKey KVBIHMGMYFPYHI-HNENSFHCSA-N
Mol Weight 376.43 g/mol
Molecular Formula C18H20N2O5S
Exact Mass 376.109293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8o1RK4KIoER
Name 2-[4-(Ethoxycarbonyl)-2-(benzoylimino)thiazol-3(2H)-yl]-3-methylbutanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20N2O5S
InChI InChI=1S/C18H20N2O5S/c1-4-25-17(24)13-10-26-18(20(13)14(11(2)3)16(22)23)19-15(21)12-8-6-5-7-9-12/h5-11,14H,4H2,1-3H3,(H,22,23)/b19-18-
InChIKey KVBIHMGMYFPYHI-HNENSFHCSA-N
Literature Reference DOI 10.1016/j.cclet.2013.11.009
Molecular Weight 376.427 g/mol
SMILES OC(C(C(C)C)N1C(=CS\C1=N\C(=O)c1ccccc1)C(=O)OCC)=O
SPLASH splash10-0a6s-9852000000-2eb9ee75858435a8ba21
Source of Spectrum CCL-25-120-4g
Synonyms (Z)-2-(2-(benzoylimino)-4-(ethoxycarbonyl)thiazol-3(2H)-yl)-3-methylbutanoic acid
Wiley ID 1743749