85-84-7

YELLOW AB(85-84-7) ¹³C NMR

Product NameYELLOW AB

CAS 85-84-7

Molecular FormulaC16H13N3

Molecular Weight247.29

InChIInChI=1S/C16H13N3/c17-15-11-10-12-6-4-5-9-14(12)16(15)19-18-13-7-2-1-3-8-13/h1-11H,17H2

InChIKey KLCDQSGLLRINHY-UHFFFAOYSA-N

SmilesC1(N=NC2=CC=CC=C2)=C2C(C=CC=C2)=CC=C1N

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¹HNMR

¹³CNMR

IR1

YELLOW AB(85-84-7) <sup>13</sup>C NMR

    Assign.     Shift(ppm)

      A             8.884
      B             7.891
      C             7.651
      D             7.609
      E             7.537
      F             7.482
      G             7.361
      J             7.317
      K             6.785

Spectral Code: 1H NMR : 400 MHz in CDCl3

YELLOW AB(85-84-7) <sup>13</sup>C NMR

       ppm   Int.  Assign.

      153.68   190      1
      138.41   231      2
      134.85   183      3
      133.64   438      4
      129.07  1000      5
      128.96   488      6
      127.95   477      7
      127.65   472      8
      127.42   248      9 *
      127.03   131     10 *
      123.21   480     11
      122.06   501     12
      121.88   944     13
      119.47   473     14

Spectral Code: 13C NMR : in CDCl3