389-08-2

Nalidixic acid(389-08-2) MS

Product NameNalidixic acid

CAS 389-08-2

Molecular FormulaC12H12N2O3

Molecular Weight232.24

InChIInChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)

InChIKey MHWLWQUZZRMNGJ-UHFFFAOYSA-N

SmilesN1(CC)C2C(=CC=C(C)N=2)C(=O)C(C(O)=O)=C1

Request For Quotation

Nalidixic acid(389-08-2) MS
Mass

MS-NW-6855          
1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
C12H12N2O3          (Mass of molecular ion:    232)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      18.0       1.9
      27.0       4.4
      28.0       2.4
      29.0       2.6
      38.0       1.3
      39.0       4.0
      40.0       1.0
      41.0       1.0
      42.0       1.7
      44.0       1.8
      50.0       1.3
      51.0       3.0
      52.0       3.2
      53.0       5.6
      62.0       1.5
      63.0       4.2
      64.0       3.4
      65.0       4.0
      66.0       1.5
      75.0       1.1
      76.0       2.6
      77.0       4.7
      78.0       2.5
      79.0       1.4
      80.0       1.1
      89.0       2.4
      90.0       2.0
      91.0       2.4
      92.0       4.8
      93.0       2.7
     102.0       1.4
     103.0       1.6
     104.0       6.0
     105.0       2.2
     107.0       1.1
     116.0       1.5
     117.0       2.3
     118.0       1.4
     119.0       1.3
     120.0       1.4
     129.0       1.2
     130.0       1.2
     131.0       7.0
     132.0      13.0
     133.0       2.0
     145.0       7.3
     146.0       1.1
     159.0       7.2
     160.0      22.4
     161.0       3.2
     173.0       9.4
     174.0       1.2
     187.0       6.7
     188.0     100.0
     189.0      13.4
     190.0       1.1
     232.0       6.8
     233.0       1.0

90 MHz in DMSO-d6

400 MHz in DMSO-d6

Nalidixic acid(389-08-2) MS

¹H NMR	89.56 MHz
C₁₂ H₁₂ N₂ O₃	0.035 g : 0.5 ml DMSO-d₆
1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid

    Assign.     Shift(ppm)

      A            14.87
      B             9.174
      C             8.602
      D             7.597
      E             4.64
      F             2.712
      G             1.425
     
     J(C,D)=8.2HZ.

     Hz     ppm     Int.

   1331.62  14.869    117
    821.68   9.175    328
    774.86   8.652    125
    766.72   8.561    150
    684.28   7.641    161
    675.92   7.548    133
    419.69   4.687    172
    412.55   4.607    185
    242.93   2.713   1000
    134.55   1.503    219
    127.51   1.424    494
    120.48   1.346    195

Nalidixic acid(389-08-2) MS

¹H NMR	399.65 MHz
C₁₂ H₁₂ N₂ O₃	saturated in DMSO-d₆
1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid

    Assign.     Shift(ppm)

      A            14.9
      B             9.196
      C             8.620
      D             7.611
      E             4.650
      F             2.718
      G             1.423

     Hz     ppm     Int.

   5968.99  14.936     31
   5965.57  14.927     57
   5964.84  14.926     60
   5964.11  14.924     59
   3675.29   9.197    328
   3449.46   8.632    157
   3441.41   8.612    167
   3045.90   7.622    156
   3037.84   7.602    150
   1869.38   4.678     59
   1862.06   4.660    190
   1854.98   4.642    193
   1847.90   4.624     60
   1086.43   2.719   1000
    575.93   1.442    214
    573.24   1.435     37
    568.85   1.424    471
    565.67   1.416     34
    565.19   1.415     32
    561.77   1.406    212

in DMSO-d6