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Product Name3-Methyl-4-nitro-isothiazole
CAS1073-18-3
Molecular FormulaC4H4N2O2S
Molecular Weight144.15
InChIInChI=1S/C4H4N2O2S/c1-3-4(6(7)8)2-9-5-3/h2H,1H3
InChIKey FOWVNQQFRSJOLM-UHFFFAOYSA-N
SmilesS1C=C([N+]([O-])=O)C(C)=N1
1HNMR
parameter in CCl4
Parameter ppm Hz D(A) 9.54 D(B) 2.74 J(A,B) 0.6 STAAB,H.A. & MANNSCHRECK,A. CHEM.BER. 98, 1111 (1965)
Hz ppm Int.
2862.32 9.541 264 2861.75 9.539 264 822.21 2.741 1000 821.84 2.739 1000
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3-Methyl-4-nitro-isothiazole(1073-18-3) 1H NMR Atlas of Related Products