MURAMIC ACID(1114-41-6) IR1

Molecular FormulaC9H17NO7

Molecular Weight251.23

InChIInChI=1S/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3?,4-,5-,6-,7-,9+/m1/s1

InChIKey MSFSPUZXLOGKHJ-KDBDHQKJSA-N

SmilesC(O)(=O)C(O[C@@H]1[C@@H](N)[C@@H](O)O[C@H](CO)[C@H]1O)C

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IR1

Mass

MS-NW-6690          
(+)-muramic acid
C9H17NO7            (Mass of molecular ion:    251)

   Source Temperature: 200 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      14.0       2.1
      15.0       6.0
      16.0       1.7
      17.0      29.3
      18.0      77.6
      19.0      13.4
      25.0       1.7
      26.0       3.9
      27.0      19.2
      28.0       6.3
      29.0      24.4
      30.0       2.3
      31.0       1.9
      41.0       1.5
      42.0       3.5
      43.0      15.8
      44.0       3.4
      45.0     100.0
      46.0       3.2
      47.0       1.1
      55.0       2.9
      56.0       2.5
      57.0       1.5
      70.0       1.1
      72.0       2.0
     113.0       2.6
     114.0       1.1
     144.0       2.1

KBr disc