Isoxazole(288-14-2) Raman
Molecular FormulaC3H3NO
Molecular Weight69.06
InChIInChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3H
InChIKey CTAPFRYPJLPFDF-UHFFFAOYSA-N
SmilesO1C=CC=N1
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Assign. Shift(ppm)
A 8.492
B 8.310
C 6.385
Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
157.81 836 1
149.08 818 2
103.61 1000 3
Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film