54978-55-1

Phenyl 1,4-dihydroxy-2-naphthoate(54978-55-1) IR2

Product NamePhenyl 1,4-dihydroxy-2-naphthoate

CAS 54978-55-1

Molecular FormulaC17H12O4

Molecular Weight280.27

InChIInChI=1S/C17H12O4/c18-15-10-14(16(19)13-9-5-4-8-12(13)15)17(20)21-11-6-2-1-3-7-11/h1-10,18-19H

InChIKey XDUXGEPGVNWEBQ-UHFFFAOYSA-N

SmilesC1(O)=C2C(C=CC=C2)=C(O)C=C1C(OC1=CC=CC=C1)=O

Request For Quotation

Phenyl 1,4-dihydroxy-2-naphthoate(54978-55-1) IR2
Mass

MS-IW-6663          
phenyl 1,4-dihydroxy-2-naphthoate
C17H12O4            (Mass of molecular ion:    280)

   Source Temperature: 140 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      17.0       1.7
      18.0       8.6
      39.0       3.9
      40.0       1.7
      47.0       1.1
      50.0       1.5
      51.0       3.1
      53.0       1.6
      55.0       1.6
      63.0       1.6
      65.0       4.7
      66.0       5.2
      75.0       1.9
      76.0       2.8
      77.0       7.5
      94.0      33.1
      95.0       2.3
     101.0       2.3
     102.0      10.5
     103.0       8.0
     104.0       1.1
     105.0       4.8
     129.0       1.6
     130.0      11.6
     131.0      10.5
     132.0       1.0
     157.0       2.4
     158.0       8.2
     159.0       8.2
     185.0       2.8
     186.0     100.0
     187.0      99.1
     188.0      12.1
     189.0       1.2
     279.0       1.3
     280.0      72.4
     281.0      13.7
     282.0       1.7

400 MHz in DMSO-d6

Phenyl 1,4-dihydroxy-2-naphthoate(54978-55-1) IR2

¹H NMR	399.65 MHz
C₁₇ H₁₂ O₄	0.039 g : 0.5 ml DMSO-d₆
phenyl 1,4-dihydroxy-2-naphthoate

    Assign.     Shift(ppm)

      A     *1     11.6
      B     *1     10.0
      C             8.322
      D             8.203
      E             7.739
      F             7.655
      G             7.525
      J             7.38
      K             7.37
      L             7.344

     Hz     ppm     Int.

   4420.91  11.062   1000
   4004.94  10.022    633
   3330.33   8.334    225
   3322.64   8.314    241
   3322.09   8.313    230
   3282.89   8.215    222
   3274.83   8.195    248
   3101.74   7.762    117
   3100.46   7.758    128
   3094.78   7.744    190
   3093.50   7.741    252
   3092.03   7.737    135
   3086.54   7.724    172
   3085.07   7.720    167
   3067.12   7.675    159
   3065.84   7.672    169
   3060.35   7.658    131
   3058.88   7.654    238
   3057.60   7.651    174
   3051.92   7.637    113
   3050.82   7.634    109
   3016.02   7.547    218
   3014.19   7.543     98
   3011.44   7.536     59
   3009.24   7.530    339
   3008.33   7.528    311
   3007.41   7.526    432
   3002.83   7.514    120
   3000.45   7.508    407
   2998.25   7.503     66
   2954.48   7.393    769
   2952.09   7.387    196
   2946.78   7.374    666
   2943.12   7.365     64
   2940.01   7.357    100
   2938.91   7.354    150
   2937.81   7.351    104
   2935.24   7.345    944

in DMSO-d6