870-93-9

DL-Homocystine(870-93-9) IR1

Product NameDL-Homocystine

CAS 870-93-9

Molecular FormulaC8H16N2O4S2

Molecular Weight268.36

InChIInChI=1/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)/t5-,6-/s3

InChIKey ZTVZLYBCZNMWCF-FJGCHTOXNA-N

SmilesS(CC[C@@H](N)C(O)=O)SCC[C@@H](N)C(O)=O |&1:3,11,r|

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¹HNMR

IR1

IR2

DL-Homocystine(870-93-9) IR1
Mass

MS-NW-0602          
DL-homocystine
C8H16N2O4S2         (Mass of molecular ion:    268)

   Source Temperature: 240 °C
   Sample Temperature: 230 °C
   Direct, 75 eV

      12.0       1.3
      14.0       1.1
      15.0       5.5
      16.0       5.5
      17.0       9.1
      18.0      23.0
      19.0       1.3
      26.0       7.3
      27.0      21.7
      28.0      78.8
      29.0      15.8
      30.0      61.1
      31.0       2.2
      32.0      11.3
      33.0      11.4
      34.0      30.6
      35.0       4.9
      36.0       2.4
      37.0       1.3
      38.0       2.3
      39.0      12.2
      40.0       3.7
      41.0      21.9
      42.0      27.7
      43.0      35.8
      44.0      73.6
      45.0      23.4
      46.0       9.0
      47.0      25.7
      48.0       1.6
      49.0       1.4
      51.0       1.7
      52.0       3.7
      53.0       3.2
      54.0      18.8
      55.0      20.5
      56.0      88.5
      57.0      20.3
      58.0       5.2
      59.0      14.8
      60.0      14.1
      61.0      30.9
      62.0       3.4
      63.0       3.6
      64.0       5.9
      65.0       1.1
      66.0       1.5
      67.0       3.7
      68.0       8.5
      69.0       4.9
      70.0       4.8
      71.0       2.9
      72.0       5.7
      73.0      13.8
      74.0      36.6
      75.0      16.7
      76.0       1.2
      79.0       1.3
      80.0       2.9
      81.0       1.4
      82.0       4.2
      83.0       5.7
      84.0       3.0
      85.0       2.0
      86.0       4.4
      87.0      11.7
      88.0     100.0
      89.0      26.8
      90.0      80.6
      91.0       8.7
      92.0       5.5
      93.0       2.6
      94.0       4.0
      95.0       2.4
      96.0       2.2
      97.0       1.6
      98.0       1.1
      99.0       2.1
     100.0       4.8
     101.0      13.5
     102.0       5.3
     103.0       1.5
     105.0       1.7
     106.0       3.4
     107.0       1.3
     110.0       1.5
     111.0       1.3
     112.0       1.1
     113.0       1.1
     114.0       2.5
     115.0       1.6
     116.0       2.5
     117.0      36.7
     118.0       3.4
     119.0       2.2
     120.0       1.2
     124.0       1.0
     126.0       1.2
     127.0       1.5
     128.0       4.5
     129.0       1.7
     130.0       1.1
     133.0      29.5
     134.0       7.1
     135.0       4.6
     136.0       2.2
     145.0       2.0
     146.0       1.4
     147.0       1.0
     150.0       1.7
     157.0       1.2
     161.0       1.2
     172.0       1.0
     173.0       1.0