5-甲基异恶唑(5765-44-6)红外图谱(IR1)
InChI:InChI=1S/C4H5NO/c1-4-2-3-5-6-4/h2-3H,1H3
InChIKey: AGQOIYCTCOEHGR-UHFFFAOYSA-N
Smiles:O1C(C)=CC=N1
-
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
-
ppm Int. Assign.
168.78 545 1
150.46 750 2
100.91 1000 3
11.93 625 4
Spectral Code: 13C NMR : in CDCl3
-
Spectral Code: IR : liquid film