L-CYSTINE DIHYDROCHLORIDE(30925-07-6) MS
Product NameL-CYSTINE DIHYDROCHLORIDE
CAS30925-07-6
Molecular FormulaC6H13ClN2O4S2
Molecular Weight276.75
InChIInChI=1/C6H12N2O4S2.2ClH/c7-3(5(9)10)1-13-14-2-4(8)6(11)12;;/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12);2*1H/t3-,4-;;/s3
InChIKey HHGZUQPEIHGQST-VVZFPZDUNA-N
Smiles[C@@H](N)(C(=O)O)CSSC[C@H](N)C(=O)O.Cl.Cl |&1:0,9,r|
-
MassMS2003-02112WA L-cystine dihydrochloride C6H12N2O4S2 2HCl (Mass of molecular ion: 240)
Source Temperature: 250 °C Sample Temperature: 165 °C Direct, 70 eV
15.0 1.1 16.0 6.3 17.0 8.9 18.0 2.6 27.0 2.7 28.0 5.4 30.0 2.4 32.0 9.5 33.0 9.1 34.0 24.3 35.0 5.0 36.0 31.5 37.0 1.8 38.0 10.6 39.0 1.6 40.0 1.2 41.0 2.6 42.0 9.0 43.0 2.4 44.0 100.0 45.0 5.2 54.0 1.7 55.0 2.2 56.0 1.9 57.0 1.4 58.0 2.8 59.0 4.8 60.0 1.9 64.0 6.2 66.0 1.1 68.0 2.6 69.0 3.5 70.0 1.8 71.0 1.8 74.0 2.2 75.0 3.2 76.0 1.6 84.0 1.4 85.0 3.1 86.0 2.6 88.0 1.3 96.0 1.1 97.0 1.0 99.0 1.0 100.0 1.8 101.0 1.4 102.0 2.0 103.0 1.1 111.0 1.4 112.0 2.3 125.0 1.4 126.0 2.4 127.0 2.2 128.0 2.3 132.0 1.8 160.0 1.9 192.0 2.6 255.5 1.6
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C6 H12 N2 O4 S2 0.037 g : 0.5 ml DMSO-d6 L-cystine dihydrochloride 
Assign. Shift(ppm)
A 8.80 B 4.199 C 3.353
Hz ppm Int.3517.91 8.803 421 1684.57 4.216 278 1678.47 4.200 528 1672.52 4.185 277 1352.39 3.384 116 1343.23 3.362 1000 1337.59 3.347 787 1336.67 3.345 800 1331.33 3.332 101
DMSO-d6
KBr disc
nujol mull
