homocarnosine sulphate(19841-48-6) IR2

CAS 19841-48-6

Molecular FormulaC10H18N4O7S

Molecular Weight338.33752

InChIInChI=1S/C10H16N4O3.H2O4S/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7;1-5(2,3)4/h5-6,8H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17);(H2,1,2,3,4)

InChIKey YQJJBZFOWMESSQ-UHFFFAOYSA-N

SmilesC(O)(=O)C(NC(=O)CCCN)CC1NC=NC=1.S(O)(O)(=O)=O

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IR1

IR2

Mass

MS-IW-2414          
N(alpha)-(4-aminobutyryl)-L-histidine sulfate
C10H16N4O3 H2O4S    (Mass of molecular ion:    240)

   Source Temperature: 180 °C
   Sample Temperature: 220 °C
   Direct, 75 eV

      26.0       1.1
      27.0       3.4
      28.0      13.0
      30.0       2.0
      32.0       2.8
      33.0       1.0
      34.0       2.7
      38.0       1.2
      39.0       6.0
      40.0       4.1
      41.0      17.2
      42.0       4.2
      43.0       1.2
      44.0       7.2
      48.0       6.4
      52.0       2.7
      53.0       1.9
      54.0       6.1
      55.0       2.6
      56.0       2.0
      60.0       2.6
      64.0      18.3
      66.0       2.6
      67.0       3.0
      68.0      10.4
      69.0       8.5
      70.0       1.0
      76.0       3.2
      80.0       1.7
      81.0      72.5
      82.0       9.6
      83.0       1.5
      84.0       1.9
      85.0       3.3
      93.0       2.4
      94.0       2.3
      95.0       5.0
      96.0       3.2
     106.0       4.7
     107.0       3.0
     108.0       3.3
     109.0       1.4
     120.0       1.5
     121.0       1.3
     123.0       3.3
     124.0     100.0
     125.0       7.3
     134.0       1.7
     136.0       1.2
     146.0       1.6
     147.0       1.2
     160.0       1.0
     174.0       3.7
     175.0       3.1
     176.0       2.4
     202.0      12.4
     203.0       3.2
     204.0      36.3
     205.0       4.6

KBr disc

nujol mull

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