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1-[(5Z)-4-keto-5-(4-phenylbenzylidene)-2-thioxo-thiazolidin-3-yl]piperidine-2,6-quinone
SpectraBase Compound ID IVjjKO75FeZ
InChI InChI=1S/C21H16N2O3S2/c24-18-7-4-8-19(25)22(18)23-20(26)17(28-21(23)27)13-14-9-11-16(12-10-14)15-5-2-1-3-6-15/h1-3,5-6,9-13H,4,7-8H2/b17-13-
InChIKey BTPDSCLWAPNRKL-LGMDPLHJSA-N
Mol Weight 408.49 g/mol
Molecular Formula C21H16N2O3S2
Exact Mass 408.060235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C2fsKFTXZhA
Name 1-[(5Z)-4-keto-5-(4-phenylbenzylidene)-2-thioxo-thiazolidin-3-yl]piperidine-2,6-quinone
Alternate Name(s) 1-[(5Z)-4-oxidanylidene-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]piperidine-2,6-dione 1-[(5Z)-4-oxo-5-[(4-phenylphenyl)methylene]-2-thioxo-thiazolidin-3-yl]piperidine-2,6-dione 1-[(5Z)-4-oxo-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]piperidine-2,6-dione 1-[(5Z)-4-oxo-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-3-thiazolidinyl]piperidine-2,6-dione
Comments Less than 3 mono-isotopic peaks
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Formula C21H16N2O3S2
InChI InChI=1S/C21H16N2O3S2/c24-18-7-4-8-19(25)22(18)23-20(26)17(28-21(23)27)13-14-9-11-16(12-10-14)15-5-2-1-3-6-15/h1-3,5-6,9-13H,4,7-8H2/b17-13-
InChIKey BTPDSCLWAPNRKL-LGMDPLHJSA-N
Molecular Weight 408.490 g/mol
SMILES C1(N(C(\C(S1)=C\c1ccc(cc1)-c1ccccc1)=O)N1C(=O)CCCC1=O)=S
SPLASH splash10-03di-0090400000-03441a833a8db05903a3
Source of Spectrum Y-33-1145-10
Wiley ID 1372850