1-ANTHRACENECARBOXYLIC ACID(607-42-1) ¹H NMR

Product Name1-ANTHRACENECARBOXYLIC ACID

CAS 607-42-1

Molecular FormulaC15H10O2

Molecular Weight222.24

InChIInChI=1S/C15H10O2/c16-15(17)13-7-3-6-12-8-10-4-1-2-5-11(10)9-14(12)13/h1-9H,(H,16,17)

InChIKey CCFAKBRKTKVJPO-UHFFFAOYSA-N

SmilesC1(C(O)=O)=C2C(C=C3C(=C2)C=CC=C3)=CC=C1

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Mass

MS-IW-4047          
1-anthracenecarboxylic acid
C15H10O2            (Mass of molecular ion:    222)

   Source Temperature: 180 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      18.0       1.8
      63.0       1.0
      74.0       1.0
      75.0       3.4
      76.0       1.8
      82.0       2.6
      82.5       2.0
      83.0       1.2
      87.0       1.7
      87.5       1.0
      88.0      12.6
      88.5       6.9
      89.0       2.0
      97.0       2.2
     102.5       2.6
     111.0       7.2
     111.5       1.2
     150.0       3.4
     151.0       4.5
     152.0       1.1
     164.0       1.0
     165.0       7.3
     166.0       1.9
     174.0       1.7
     175.0       2.4
     176.0      15.2
     177.0      24.3
     178.0      10.0
     179.0       1.4
     193.0       1.3
     194.0       2.2
     204.0       1.4
     205.0      14.2
     206.0       2.4
     221.0       1.1
     222.0     100.0
     223.0      16.4
     224.0       1.8

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₅ H₁₀ O₂	0.035 g : 0.5 ml DMSO-d₆
1-anthracenecarboxylic acid

    Assign.     Shift(ppm)

      A            13.3
      B             9.627
      C             8.697
      D             8.355
      E             8.299
      F     *1      8.189
      G     *1      8.131
      J             7.62
      K     *2      7.61
      L     *2      7.60

     Hz     ppm     Int.

   3847.81   9.628    931
   3475.79   8.698   1000
   3343.94   8.368    466
   3335.18   8.346    501
   3321.08   8.310    519
   3320.01   8.308    536
   3314.03   8.293    585
   3312.96   8.290    546
   3281.33   8.211     62
   3278.13   8.203    273
   3274.71   8.194    265
   3273.00   8.190    210
   3270.43   8.184    193
   3268.08   8.178    314
   3255.26   8.146    287
   3250.35   8.133    203
   3248.64   8.129    274
   3245.43   8.121    311
   3242.01   8.113     75
   3054.61   7.644    486
   3047.56   7.626    628
   3046.07   7.622    631
   3043.72   7.616    957
   3041.15   7.610    505
   3039.23   7.605    731
   3037.95   7.602    578
   3036.45   7.598    498
   3033.89   7.592    906
   3031.32   7.585    132
   3029.83   7.582    146
   3027.48   7.576     43

in DMSO-d6