6-Crotonoyl-3-methylbenzoxazol-2(3H)-one(80427-86-7) ¹H NMR

Product Name6-Crotonoyl-3-methylbenzoxazol-2(3H)-one

CAS 80427-86-7

Molecular FormulaC12H11NO3

Molecular Weight217.22

InChIInChI=1S/C12H11NO3/c1-3-4-10(14)8-5-6-9-11(7-8)16-12(15)13(9)2/h3-7H,1-2H3/b4-3+

InChIKey AXAAGKOAYVSRIQ-ONEGZZNKSA-N

SmilesO1C2=CC(C(=O)/C=C/C)=CC=C2N(C)C1=O

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¹HNMR

    Parameter     ppm  Hz

      D(A)         7.02
      D(B)         7.89
      D(C)         7.80
       J(A,B)          8.1
       J(A,C)          0.0
       J(B,C)          1.5
     
      D(D)         6.91
      D(E)         7.11
      D(F)         2.01
       J(D,E)         15.1
       J(D,F)          0.0
       J(E,F)          5.6
     
      D(G)         3.45
     
     BARBRY,D. ET AL. ORG.MAGN.RESON. 19, 116 (1982)

Spectral Code: 1H NMR : parameter in CDCl3

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6-Crotonoyl-3-methylbenzoxazol-2(3H)-one(80427-86-7) 1H NMR

6-Crotonoyl-3-methylbenzoxazol-2(3H)-one(80427-86-7) ¹H NMR