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2,2-Di(ethoxycarbonyl)-1-p-nitrophenyl-1-p-tolthioethene
SpectraBase Compound ID HrBDl8RGQLK
InChI InChI=1S/C21H21NO6S/c1-4-27-20(23)18(21(24)28-5-2)19(29-17-12-6-14(3)7-13-17)15-8-10-16(11-9-15)22(25)26/h6-13H,4-5H2,1-3H3
InChIKey SUKRHZGLUUYYPP-UHFFFAOYSA-N
Mol Weight 415.46 g/mol
Molecular Formula C21H21NO6S
Exact Mass 415.108959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FxTA6YPdLOu
Name 2,2-Di(ethoxycarbonyl)-1-p-nitrophenyl-1-p-tolthioethene
Alternate Name(s) 1,1-Diethoxycarbonyl-2-(p-nitrophenyl)-2-(p-tolythio)ethene Diethyl 2-[[(4-methylphenyl)sulfanyl](4-nitrophenyl)methylene]malonate
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Formula C21H21NO6S
InChI InChI=1S/C21H21NO6S/c1-4-27-20(23)18(21(24)28-5-2)19(29-17-12-6-14(3)7-13-17)15-8-10-16(11-9-15)22(25)26/h6-13H,4-5H2,1-3H3
InChIKey SUKRHZGLUUYYPP-UHFFFAOYSA-N
Molecular Weight 415.460 g/mol
SMILES C(=C(Sc1ccc(cc1)C)c1ccc(N(=O)=O)cc1)(C(=O)OCC)C(=O)OCC
SPLASH splash10-00dj-2961000000-15a18d850e54953607a2
Source of Spectrum KC-1975-873-10
Wiley ID 1375933