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2-(Acetylmethylene)-3-ethylbenzothiazoline

View entire compound with spectra: 2 MS (GC)

2-(Acetylmethylene)-3-ethylbenzothiazoline
SpectraBase Compound ID I1L42kgZHJi
InChI InChI=1S/C12H13NOS/c1-3-13-10-6-4-5-7-11(10)15-12(13)8-9(2)14/h4-8H,3H2,1-2H3/b12-8+
InChIKey ZAQJHSAPJIMKAM-XYOKQWHBSA-N
Mol Weight 219.3 g/mol
Molecular Formula C12H13NOS
Exact Mass 219.071785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ft2ZNIAvYOE
Name 2-(Acetylmethylene)-3-ethylbenzothiazoline
Alternate Name(s) (1E)-1-(3-Ethyl-1,3-benzothiazol-2(3H)-ylidene)-2-propanone (1E)-1-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-propanone (1E)-1-(3-ethyl-1,3-benzothiazol-2-ylidene)acetone (1E)-1-(3-ethyl-1,3-benzothiazol-2-ylidene)propan-2-one
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Formula C12H13NOS
InChI InChI=1S/C12H13NOS/c1-3-13-10-6-4-5-7-11(10)15-12(13)8-9(2)14/h4-8H,3H2,1-2H3/b12-8+
InChIKey ZAQJHSAPJIMKAM-XYOKQWHBSA-N
Molecular Weight 219.302 g/mol
SMILES c1ccc2c(c1)S\C(N2CC)=C\C(C)=O
SPLASH splash10-0fr5-9840000000-e239155d599584d61348
Wiley ID 1468961