(+)-OCTOPINE(34522-32-2) IR2

Molecular FormulaC9H18N4O4

Molecular Weight246.26

InChIInChI=1S/C9H18N4O4/c1-5(7(14)15)13-6(8(16)17)3-2-4-12-9(10)11/h5-6,13H,2-4H2,1H3,(H,14,15)(H,16,17)(H4,10,11,12)/t5-,6+/m1/s1

InChIKey IMXSCCDUAFEIOE-RITPCOANSA-N

SmilesC(O)(=O)[C@H](CCCNC(N)=N)N[C@@H](C(O)=O)C

Request For Quotation

400 MHz in D2O

¹H NMR	399.65 MHz
C₉ H₁₈ N₄ O₄	saturated in D₂O
(R)-(+)-N(2)-(1-carboxyethyl)-L-arginine

    Assign.     Shift(ppm)

      A             3.75
      B             3.250
      C             1.94
      D             1.72
      E             1.507
     
     SOLVENT SIGNAL REMOVED

     Hz     ppm     Int.

   1509.28   3.777     79
   1502.08   3.759    313
   1494.87   3.741    409
   1488.28   3.724    199
   1306.03   3.268    247
   1299.07   3.251    538
   1292.11   3.234    268
    797.61   1.996     35
    794.68   1.989     53
    792.24   1.983     45
    788.57   1.974     82
    783.20   1.960    108
    777.59   1.946    132
    772.34   1.933    123
    770.02   1.927     87
    766.72   1.919     79
    765.01   1.915     74
    759.77   1.902     71
    709.72   1.776     42
    708.50   1.773     48
    701.66   1.756     71
    696.29   1.743     76
    691.04   1.730     95
    684.20   1.712    109
    677.49   1.696     96
    673.58   1.686     75
    670.41   1.678     68
    666.87   1.669     73
    663.82   1.662     39
    660.03   1.652     49
    605.83   1.516   1000
    598.63   1.498    995

in D2O

KBr disc

nujol mull

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