6704-40-1

2-HYDROXY-3-NAPHTHOIC ACID 2-CHLOROANILIDE(6704-40-1) IR2

Product Name2-HYDROXY-3-NAPHTHOIC ACID 2-CHLOROANILIDE

CAS 6704-40-1

Molecular FormulaC17H12ClNO2

Molecular Weight297.74

InChIInChI=1S/C17H12ClNO2/c18-14-7-3-4-8-15(14)19-17(21)13-9-11-5-1-2-6-12(11)10-16(13)20/h1-10,20H,(H,19,21)

InChIKey KLNUTTQQHSRBIE-UHFFFAOYSA-N

SmilesC1=C2C(C=CC=C2)=CC(O)=C1C(NC1=CC=CC=C1Cl)=O

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2-HYDROXY-3-NAPHTHOIC ACID 2-CHLOROANILIDE(6704-40-1) IR2
Mass

MS-IW-4063          
N-(o-chlorophenyl)-3-hydroxy-2-naphthamide
C17H12ClNO2         (Mass of molecular ion:    297)

   Source Temperature: 170 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      17.0       1.1
      18.0       5.7
      39.0       1.3
      63.0       2.8
      65.0       2.3
      75.0       1.2
      88.0       2.0
      89.0       3.8
     113.0       2.8
     114.0      10.1
     115.0      35.7
     116.0       3.6
     127.0       5.6
     129.0       1.8
     131.0       9.9
     131.5       1.8
     142.0      22.0
     143.0       5.8
     148.5       1.1
     170.0     100.0
     171.0      64.8
     172.0       7.4
     233.0       1.0
     261.0       1.3
     262.0       4.6
     279.0       1.0
     297.0      40.8
     298.0       7.9
     299.0      13.6
     300.0       2.5

400 MHz in DMSO-d6

2-HYDROXY-3-NAPHTHOIC ACID 2-CHLOROANILIDE(6704-40-1) IR2

¹H NMR	399.65 MHz
C₁₇ H₁₂ Cl N O₂	0.030 g : 0.5 ml DMSO-d₆
N-(o-chlorophenyl)-3-hydroxy-2-naphthamide

    Assign.     Shift(ppm)

      A     *1     12.01
      B     *1     11.19
      C             8.758
      D             8.553
      E             8.018
      F             7.808
      G             7.596
      J             7.554
      K             7.43
      L             7.420
      M             7.41
      N             7.211
     
     ASSIGNED BY H-H AND C-H COSY.

     Hz     ppm     Int.

   4801.52  12.015     51
   4473.29  11.194    327
   3500.31   8.759    753
   3423.20   8.566    260
   3421.73   8.562    283
   3414.96   8.545    287
   3413.49   8.542    290
   3208.89   8.030    294
   3200.65   8.009    309
   3125.19   7.820    288
   3116.76   7.799    335
   3040.75   7.609    360
   3039.46   7.606    401
   3032.69   7.589    413
   3031.41   7.586    436
   3027.56   7.576    186
   3026.28   7.573    203
   3020.78   7.559    234
   3019.32   7.555    333
   3018.03   7.552    204
   3012.36   7.538    200
   3011.26   7.535    205
   2982.87   7.464    174
   2981.40   7.461    181
   2975.36   7.445    261
   2974.44   7.443    286
   2973.89   7.442    298
   2973.16   7.440    254
   2965.65   7.421   1000
   2963.45   7.416    339
   2957.59   7.401    210
   2956.31   7.398    350
   2955.21   7.395    263
   2949.35   7.380    176
   2948.25   7.378    185
   2890.18   7.232    249
   2888.72   7.229    258
   2882.86   7.214    271
   2882.31   7.213    292
   2881.21   7.210    305
   2880.66   7.208    316
   2874.80   7.194    217
   2873.15   7.190    209

in DMSO-d6