HIPPURIC ACID SODIUM SALT(532-94-5) IR2

Product NameHIPPURIC ACID SODIUM SALT

CAS 532-94-5

Molecular FormulaC9H10NNaO3

Molecular Weight203.17

InChIInChI=1S/C9H9NO3.Na/c11-8(12)6-10-9(13)7-4-2-1-3-5-7;/h1-5H,6H2,(H,10,13)(H,11,12);/q;+1/p-1

InChIKey ZBCAZEFVTIBZJS-UHFFFAOYSA-M

SmilesC1(=CC=CC=C1)C(=O)NCC([O-])=O.[Na+]

Request For Quotation

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₉ H₈ N Na O₃	saturated in DMSO-d₆
sodium hippurate

    Assign.     Shift(ppm)

      A             7.98
      B             7.846
      C             7.503
      D             7.452
      E             3.612
     
     J(A,E)=4.9HZ

     Hz     ppm     Int.

   3195.07   7.995    145
   3190.31   7.983    277
   3185.55   7.971    144
   3142.58   7.864     90
   3140.38   7.858    554
   3139.40   7.856    698
   3137.70   7.852    332
   3134.40   7.843    217
   3132.32   7.838    845
   3130.74   7.834    619
   3009.40   7.531     67
   3008.06   7.527    121
   3006.71   7.524     77
   3003.66   7.516     95
   3000.85   7.509    460
   2998.41   7.503    126
   2995.12   7.495    249
   2993.65   7.491    405
   2992.19   7.488    196
   2989.38   7.480     30
   2988.77   7.479     32
   2984.25   7.468    649
   2983.03   7.465    274
   2978.39   7.453    431
   2976.68   7.449    824
   2971.44   7.436    128
   2969.73   7.431    320
   2968.26   7.428    184
   1445.92   3.618   1000
   1441.04   3.606    986

in D2O

in DMSO-d6