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3-Methyl-N-[ 2-( 2'-pyridyl)ethyl]isothiazole-5-carbaldimine
SpectraBase Compound ID BgqdFx2wTLR
InChI InChI=1S/C12H13N3S/c1-10-8-12(16-15-10)9-13-7-5-11-4-2-3-6-14-11/h2-4,6,8-9H,5,7H2,1H3/b13-9+
InChIKey HHKHQGUSPRIIAG-UKTHLTGXSA-N
Mol Weight 231.32 g/mol
Molecular Formula C12H13N3S
Exact Mass 231.083019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 94wdPMwDAe8
Name 3-Methyl-N-[ 2-( 2'-pyridyl)ethyl]isothiazole-5-carbaldimine
Comments Less than 3 mono-isotopic peaks
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Formula C12H13N3S
InChI InChI=1S/C12H13N3S/c1-10-8-12(16-15-10)9-13-7-5-11-4-2-3-6-14-11/h2-4,6,8-9H,5,7H2,1H3/b13-9+
InChIKey HHKHQGUSPRIIAG-UKTHLTGXSA-N
Molecular Weight 231.317 g/mol
SMILES c1(snc(c1)C)\C=N\CCc1ncccc1
SPLASH splash10-0a4i-0920000000-17ee5ae2c048b8883074
Source of Spectrum K-130-98-1
Synonyms N-[(E)-(3-methyl-5-isothiazolyl)methylidene]-2-(2-pyridinyl)ethanamine N-[(E)-(3-methyl-5-isothiazolyl)methylidene]-N-[(E)-2-(2-pyridinyl)ethyl]amine
Wiley ID 1232694