5-Methylisoxazole(5765-44-6) IR1
Product Name5-Methylisoxazole
CAS5765-44-6
Molecular FormulaC4H5NO
Molecular Weight83.09
InChIInChI=1S/C4H5NO/c1-4-2-3-5-6-4/h2-3H,1H3
InChIKey AGQOIYCTCOEHGR-UHFFFAOYSA-N
SmilesO1C(C)=CC=N1
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Parameter ppm Hz
D(A) 8.017 D(B) 5.930 D(C) 2.394 J(A,B) 1.75 J(A,C) 0.64 J(B,C) -0.89 WASYLISHEN,R.E. ET AL. CAN.J.CHEM. 52, 833 (1974)Spectral Code: 1H NMR : parameter in CS2
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ppm Int. Assign.
168.78 545 1 150.46 750 2 100.91 1000 3 11.93 625 4Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film
