BENZYL ORANGE(589-02-6) IR1

Molecular FormulaC19H16KN3O3S

Molecular Weight405.51194

InChIInChI=1S/C19H17N3O3S.K/c23-26(24,25)19-12-10-18(11-13-19)22-21-17-8-6-16(7-9-17)20-14-15-4-2-1-3-5-15;/h1-13,20H,14H2,(H,23,24,25);/q;+1/p-1/b22-21+;

InChIKey HHGSSTKRFXJDCV-QUABFQRHSA-M

SmilesC1(C=CC(NCC2C=CC=CC=2)=CC=1)/N=N/C1=CC=C(S([O-])(=O)=O)C=C1.[K+]

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¹HNMR

¹³CNMR

IR1

    Assign.     Shift(ppm)

      A             7.72
      B             7.71
      C             7.38
      D             7.34
      E             7.264
      F             6.737
      G             4.407

Spectral Code: 1H NMR : 400 MHz in DMSO-d6

       ppm   Int.  Assign.

       152.27   403     1
       152.09   465     2
       148.48   372     3
       143.00   403     4
       139.24   441     5
       128.33   906     6
       127.16  1000     7
       126.81   542     8
       126.52   806     9
       125.09   651    10
       121.11   751    11
       111.99   713    12
        45.98   325    13

Spectral Code: 13C NMR : in DMSO-d6

Spectral Code: IR : nujol mull

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