4-BROMOANTIPYRINE(5426-65-3) ¹³C NMR

Product Name4-BROMOANTIPYRINE

CAS 5426-65-3

Molecular FormulaC11H11BrN2O

Molecular Weight267.12

InChIInChI=1S/C11H11BrN2O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3

InChIKey QYWWSDVPNCBSIA-UHFFFAOYSA-N

SmilesN1(C)C(C)=C(Br)C(=O)N1C1=CC=CC=C1

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¹HNMR

¹³CNMR

IR1

    Assign.     Shift(ppm)

      A          7.59 to 7.16
      B             3.078
      C             2.283

Spectral Code: 1H NMR : 90 MHz in CDCl3

       ppm   Int.  Assign.

      162.11   144      1
      154.03   318      2
      134.84   264      3
      129.18  1000      4
      127.00   403      5
      124.18   841      6
       90.41    40      7
       36.40   239      8
       12.43   224      9

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : nujol mull

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4-BROMOANTIPYRINE(5426-65-3) 13C NMR

4-BROMOANTIPYRINE(5426-65-3) ¹³C NMR