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5-Ethoxycarbonyl-4-methyl-2-[2-(p-toluensulfonyl)-N,Ndiacetyl-hydrazino]-thiazole
SpectraBase Compound ID JVcTeoFFMwo
InChI InChI=1S/C18H21N3O6S2/c1-12-5-7-16(8-6-12)29(25,26)21(15(4)24)20(14(3)23)18-19-13(2)17(28-18)9-10-27-11-22/h5-8,11H,9-10H2,1-4H3
InChIKey GOYQNLWZISEPKV-UHFFFAOYSA-N
Mol Weight 439.5 g/mol
Molecular Formula C18H21N3O6S2
Exact Mass 439.087178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BSMB1vJ7j5x
Name 5-Ethoxycarbonyl-4-methyl-2-[2-(p-toluensulfonyl)-N,Ndiacetyl-hydrazino]-thiazole
Comments Removed - expert review: contamination (acetone))
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Formula C18H21N3O6S2
InChI InChI=1S/C18H21N3O6S2/c1-12-5-7-16(8-6-12)29(25,26)21(15(4)24)20(14(3)23)18-19-13(2)17(28-18)9-10-27-11-22/h5-8,11H,9-10H2,1-4H3
InChIKey GOYQNLWZISEPKV-UHFFFAOYSA-N
Molecular Weight 439.501 g/mol
SMILES c1(S(N(N(c2nc(C)c(s2)CCOC=O)C(=O)C)C(=O)C)(=O)=O)ccc(cc1)C
SPLASH splash10-0006-9000000000-91e564ca9ecf49ef899a
Source of Spectrum F2-45-5085-3e
Wiley ID 1703756