32854-09-4

L-胱氨酸二甲酯二盐酸盐(32854-09-4)核磁图(¹³CNMR)

产品名称:L-胱氨酸二甲酯二盐酸盐

CAS:32854-09-4

分子式:C8H18Cl2N2O4S2

分子量: 341.28

InChI:InChI=1/C8H16N2O4S2.2ClH/c1-13-7(11)5(9)3-15-16-4-6(10)8(12)14-2;;/h5-6H,3-4,9-10H2,1-2H3;2*1H/t5-,6-;;/s3

InChIKey: QKWGUPFPCRKKMQ-CAZAILOXNA-N

Smiles:[C@H](N)(CSSC[C@H](N)C(=O)OC)C(=O)OC.Cl.Cl |&1:0,6,r|

Mass

MS-NW-7872          
L-(-)-cystine dimethyl ester dihydrochloride
C8H16N2O4S2 2HCl    (Mass of molecular ion:    268)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      15.0      20.8
      16.0       3.5
      17.0       5.2
      18.0       9.6
      27.0       3.4
      28.0      21.1
      29.0       3.8
      30.0      17.2
      31.0       2.1
      32.0       1.8
      33.0      29.0
      34.0       1.6
      35.0      11.0
      36.0      84.9
      37.0       3.8
      38.0      27.5
      40.0       1.8
      41.0      10.0
      42.0      51.0
      43.0      38.3
      44.0      11.0
      45.0       5.6
      46.0       3.2
      47.0       5.1
      48.0       3.7
      53.0       1.0
      54.0       2.4
      55.0       5.6
      56.0       3.1
      57.0       3.4
      58.0       3.3
      59.0      30.3
      60.0       5.2
      61.0       1.5
      64.0      11.3
      66.0       1.1
      68.0       2.6
      70.0       7.8
      71.0       2.0
      73.0       1.4
      74.0      15.5
      75.0      14.8
      76.0      74.6
      77.0       3.2
      78.0       3.6
      79.0       1.3
      85.0       1.3
      86.0       3.6
      87.0       8.6
      88.0     100.0
      89.0       7.9
      90.0       1.0
      96.0       1.3
      98.0       3.5
     100.0      11.4
     101.0       8.8
     102.0      29.7
     103.0       4.9
     106.0       3.9
     107.0       4.0
     108.0       2.3
     112.0       1.4
     113.0       1.0
     114.0       1.7
     119.0       9.0
     120.0       1.1
     126.0       6.1
     128.0       1.5
     132.0       1.1
     133.0       1.4
     134.0       6.8
     135.0      30.9
     136.0      27.7
     137.0       3.2
     138.0       1.5
     144.0       1.0
     146.0       1.3
     158.0       3.1
     160.0      26.2
     161.0       2.3
     162.0       1.4
     167.0      28.5
     168.0       2.5
     169.0       2.8
     186.0       1.2
     192.0       1.8
     209.0       4.8
     217.0       1.1
     222.0       8.1
     251.0       1.8
     256.0       1.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₁₆ N₂ O₄ S₂	0.038 g : 0.5 ml DMSO-d₆
L-(-)-cystine dimethyl ester dihydrochloride

    Assign.     Shift(ppm)

      A             4.305
      B             3.771
      C     *1      3.417
      D     *1      3.354

     Hz     ppm     Int.

   1726.84   4.321     67
   1720.73   4.306    119
   1715.09   4.292     69
   1507.11   3.772   1000
   1378.33   3.449     42
   1372.83   3.436     45
   1363.83   3.413    101
   1358.34   3.399     96
   1348.11   3.374    102
   1341.71   3.358    103
   1333.62   3.337     48
   1327.21   3.321     43

in DMSO-d6