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N-(4-Nitrobenzoyl)-4,5-dimethylisothiazolium-2-imine
SpectraBase Compound ID LQmg74T1ZBa
InChI InChI=1S/C12H11N3O3S/c1-8-7-14(19-9(8)2)13-12(16)10-3-5-11(6-4-10)15(17)18/h3-7H,1-2H3
InChIKey MKOWXSALOZMHLZ-UHFFFAOYSA-N
Mol Weight 277.3 g/mol
Molecular Formula C12H11N3O3S
Exact Mass 277.052112 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ZAi65UTj13
Name N-(4-Nitrobenzoyl)-4,5-dimethylisothiazolium-2-imine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11N3O3S
InChI InChI=1S/C12H11N3O3S/c1-8-7-14(19-9(8)2)13-12(16)10-3-5-11(6-4-10)15(17)18/h3-7H,1-2H3
InChIKey MKOWXSALOZMHLZ-UHFFFAOYSA-N
Molecular Weight 277.298 g/mol
SMILES C([N-][n+]1sc(C)c(c1)C)(c1ccc(N(=O)=O)cc1)=O
SPLASH splash10-004i-4490000000-b8a77d3c2f9b607e9b5f
Source of Spectrum O1-65-2712-5
Synonyms 4,5-Dimethyl-2-[(4-nitrophenyl)carbonylazanidyl]-1,2-thiazol-2-ium
Wiley ID 1593330