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Product NameIsothiazole
CAS288-16-4
Molecular FormulaC3H3NS
Molecular Weight85.13
InChIInChI=1S/C3H3NS/c1-2-4-5-3-1/h1-3H
InChIKey ZLTPDFXIESTBQG-UHFFFAOYSA-N
SmilesS1C=CC=N1
1HNMR
parameter in CCl4
Parameter ppm Hz D(A) 8.54 D(B) 7.26 D(C) 8.72 J(A,B) 1.7 J(A,C) 0.4 J(B,C) 4.7 STAAB,H.A. & MANNSCHRECK,A. CHEM.BER. 98, 1111 (1965) J(A,C): LESS THAN 0.4HZ.
Hz ppm Int.
2618.36 8.728 934 2613.65 8.712 940 2562.83 8.543 991 2561.21 8.537 1000 2181.19 7.271 641 2179.50 7.265 643 2176.48 7.255 635 2174.81 7.249 623
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Isothiazole(288-16-4) 1H NMR Atlas of Related Products