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3-Ethoxycarbonyl-4-methyl-5-phenylimino-1,2,4-thiadiazoline
SpectraBase Compound ID DrQoXYLndrI
InChI InChI=1S/C12H13N3O2S/c1-3-17-11(16)10-14-18-12(15(10)2)13-9-7-5-4-6-8-9/h4-8H,3H2,1-2H3/b13-12-
InChIKey CWSLILUCKKIRFX-SEYXRHQNSA-N
Mol Weight 263.31 g/mol
Molecular Formula C12H13N3O2S
Exact Mass 263.072848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LDfKakpuRzb
Name 3-Ethoxycarbonyl-4-methyl-5-phenylimino-1,2,4-thiadiazoline
Alternate Name(s) 3-Ethoxycarbonyl-4-methyl-5-phenylimino-1,2,4-thiazolidine Ethyl (5Z)-4-methyl-5-(phenylimino)-4,5-dihydro-1,2,4-thiadiazole-3-carboxylate
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Formula C12H13N3O2S
InChI InChI=1S/C12H13N3O2S/c1-3-17-11(16)10-14-18-12(15(10)2)13-9-7-5-4-6-8-9/h4-8H,3H2,1-2H3/b13-12-
InChIKey CWSLILUCKKIRFX-SEYXRHQNSA-N
Molecular Weight 263.315 g/mol
SMILES C=1(N(\C(=N\c2ccccc2)SN1)C)C(=O)OCC
SPLASH splash10-03e9-6790000000-46e89cc33a1e768b8032
Source of Spectrum Y-28-335-6
Wiley ID 1266717