Methyl 5-hydroxynicotinate(30766-22-4) IR2

Product NameMethyl 5-hydroxynicotinate

CAS 30766-22-4

Molecular FormulaC7H7NO3

Molecular Weight153.14

InChIInChI=1S/C7H7NO3/c1-11-7(10)5-2-6(9)4-8-3-5/h2-4,9H,1H3

InChIKey KJJSHOHQQHACLE-UHFFFAOYSA-N

SmilesC1=NC=C(O)C=C1C(OC)=O

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Mass

MS-IW-7453          
methyl 5-hydroxynicotinate
C7H7NO3             (Mass of molecular ion:    153)

   Source Temperature: 160 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      15.0       1.5
      28.0       1.7
      37.0       1.7
      38.0       5.4
      39.0       9.8
      44.0       1.9
      51.0       1.4
      53.0       2.5
      59.0       1.6
      65.0       1.4
      66.0       4.8
      67.0       2.2
      76.0       1.7
      93.0       2.8
      94.0      58.3
      95.0       4.8
     121.0       5.0
     122.0      82.4
     123.0       6.9
     124.0       1.0
     136.0       1.5
     152.0       3.7
     153.0     100.0
     154.0       9.4

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₇ N O₃	0.041 g : 0.5 ml DMSO-d₆
methyl 5-hydroxynicotinate

    Assign.     Shift(ppm)

      A            10.4
      B             8.582
      C             8.386
      D             7.626
      E             3.888

     Hz     ppm     Int.

   4170.84  10.437     65
   3429.41   8.582     94
   3352.81   8.390     75
   3350.37   8.384     75
   3050.23   7.633    122
   3048.55   7.629    136
   3047.49   7.626    149
   3045.65   7.621    127
   1553.96   3.889   1000

in DMSO-d6