Product Name 3-Chloro-4-methylisothiazole
CAS1072-56-6
MFC4H4ClNS
MW133.6
InChIInChI=1S/C4H4ClNS/c1-3-2-7-6-4(3)5/h2H,1H3
InChIKeyFQANRCWINZEGNW-UHFFFAOYSA-N
SmilesS1C=C(C)C(Cl)=N1
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parameter in CCl4
Parameter ppm Hz D(A) 8.24 D(B) 2.28 J(A,B) 0.9 STAAB,H.A. & MANNSCHRECK,A. CHEM.BER. 98, 1111 (1965)
Hz ppm Int.
2472.43 8.241 262 2471.60 8.239 263 684.43 2.281 1000 683.60 2.279 999
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