Product Name 4,5-Dimethylisothiazole
CAS27330-47-8
MFC5H7NS
MW113.18
InChIInChI=1S/C5H7NS/c1-4-3-6-7-5(4)2/h3H,1-2H3
InChIKeySPRVGONRQZESPA-UHFFFAOYSA-N
SmilesS1C(C)=C(C)C=N1
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parameter in CS2
Parameter ppm Hz D(A) 7.977 D(B) 2.120 D(C) 2.360 J(A,B) -0.45 J(A,C) 0.59 J(B,C) 0.60 WASYLISHEN,R.E. ET AL. CAN.J.CHEM. 52, 833 (1974)
Hz ppm Int.
2393.11 7.977 303 708.02 2.360 994 636.02 2.120 1000
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