4-AMINORESORCINOL HYDROCHLORIDE(34781-86-7) ¹³C NMR

Product Name4-AMINORESORCINOL HYDROCHLORIDE

CAS 34781-86-7

Molecular FormulaC6H8ClNO2

Molecular Weight161.59

InChIInChI=1S/C6H7NO2.ClH/c7-5-2-1-4(8)3-6(5)9;/h1-3,8-9H,7H2;1H

InChIKey LLJMPRKYLLJAEB-UHFFFAOYSA-N

SmilesOC1C=C(O)C=CC=1N.Cl

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Mass

MS-NW-6279          
4-aminoresorcinol hydrochloride
C6H7NO2 HCl         (Mass of molecular ion:    125)

   Source Temperature: 170 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      18.0       3.2
      27.0       1.6
      28.0       5.0
      29.0       1.0
      35.0       2.4
      36.0      20.2
      38.0       6.8
      39.0       3.3
      41.0       4.4
      42.0       2.3
      43.0       2.4
      50.0       1.6
      51.0       4.0
      52.0      12.0
      53.0       3.5
      54.0       3.2
      55.0       2.8
      56.0       1.9
      62.5       4.7
      67.0       1.6
      68.0       3.6
      69.0       3.6
      70.0       1.4
      78.0       1.8
      79.0       4.1
      80.0       9.5
      81.0       1.7
      96.0      14.8
      97.0       1.6
     106.0       1.1
     107.0       2.3
     124.0      10.2
     125.0     100.0
     126.0       7.2
     139.0       1.2

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₆ H₇ N O₂	0.035 g : 0.5 ml DMSO-d₆
4-aminoresorcinol hydrochloride

    Assign.     Shift(ppm)

      A            10.6
      B             9.7
      C             7.165
      D             6.585
      E             6.288

     Hz     ppm     Int.

   4244.99  10.622    205
   3882.75   9.716    576
   2868.04   7.177    908
   2859.50   7.156    963
   2633.21   6.589   1000
   2630.62   6.583    990
   2518.62   6.303    547
   2516.17   6.296    496
   2510.07   6.281    526
   2507.48   6.275    499

in DMSO-d6