Naproxen(22204-53-1) IR2

Product NameNaproxen

CAS 22204-53-1

Molecular FormulaC14H14O3

Molecular Weight230.26

InChIInChI=1/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/s3

InChIKey CMWTZPSULFXXJA-DJEYLCQNNA-N

Smiles[C@@H](C1C=CC2=CC(OC)=CC=C2C=1)(C)C(=O)O |&1:0,r|

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Mass

MS-IW-3664          
(S)-(+)-2-(6-methoxy-2-naphthyl)propionic acid
C14H14O3            (Mass of molecular ion:    230)

   Source Temperature: 150 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      18.0       3.8
      28.0       1.1
      51.0       1.2
      63.0       2.2
      75.0       1.1
      76.0       1.6
      77.0       1.2
      89.0       1.0
      92.5       2.2
     114.0       1.5
     115.0       9.1
     116.0       1.5
     126.0       1.1
     127.0       2.3
     128.0       2.9
     129.0       1.2
     139.0       3.1
     140.0       1.4
     141.0      11.4
     142.0       6.0
     143.0       1.1
     144.0       1.3
     151.0       1.0
     152.0       3.6
     153.0       7.4
     154.0       7.2
     155.0       3.9
     158.0       1.0
     159.0       1.0
     169.0       3.0
     170.0      10.7
     171.0       2.8
     183.0       1.1
     184.0       2.8
     185.0     100.0
     186.0      14.8
     187.0       2.3
     215.0       1.7
     230.0      53.6
     231.0       8.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₄ H₁₄ O₃	0.043 g : 0.5 ml CDCl₃
(S)-(+)-2-(6-methoxy-2-naphthyl)propionic acid

    Assign.     Shift(ppm)

      A            10.
      B             7.67
      C             7.66
      D             7.393
      E             7.119
      F             7.079
      G             3.872
      J             3.86
      K             1.567

     Hz     ppm     Int.

   3069.69   7.681    131
   3061.99   7.662    225
   3060.71   7.659    226
   2959.79   7.406     78
   2957.96   7.402     73
   2951.36   7.385     66
   2949.53   7.381     66
   2850.80   7.134     89
   2848.24   7.127    115
   2842.01   7.112     68
   2839.45   7.105    107
   2830.29   7.082    132
   2827.91   7.076     98
   1547.57   3.873   1000
   1541.35   3.857     71
   1534.20   3.839     65
   1527.06   3.821     22
    629.91   1.577    363
    622.77   1.559    357

in CDCl3