2'-Deoxycytidine hydrochloride(3992-42-5) IR2
Product Name2'-Deoxycytidine hydrochloride
CAS3992-42-5
Molecular FormulaC9H14ClN3O4
Molecular Weight263.68
InChIInChI=1/C9H13N3O4.ClH/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8;/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15);1H/t5-,6+,8+;/s3
InChIKey LTKCXZGFJFAPLY-AZXCMKNYNA-N
SmilesOC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)C[C@@H]1O.[H]Cl |&1:2,4,14,r|
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MassMS-IW-1353 2'-deoxycytidine hydrochloride C9H13N3O4 HCl (Mass of molecular ion: 227)
Source Temperature: 170 °C Sample Temperature: 140 °C Direct, 75 eV
15.0 2.5 17.0 3.4 18.0 15.2 19.0 1.7 26.0 1.9 27.0 6.1 28.0 11.7 29.0 7.6 31.0 4.6 35.0 1.4 36.0 10.1 37.0 1.0 38.0 4.6 39.0 8.4 40.0 9.9 41.0 19.1 42.0 16.1 43.0 12.2 44.0 9.2 45.0 5.3 47.0 1.6 51.0 1.9 52.0 3.1 53.0 5.7 54.0 1.9 55.0 5.5 56.0 3.0 57.0 5.9 66.0 3.1 67.0 11.3 68.0 13.3 69.0 21.6 70.0 6.1 71.0 3.9 73.0 6.9 81.0 13.1 82.0 3.7 83.0 14.4 84.0 1.8 85.0 1.5 94.0 1.4 95.0 6.9 96.0 1.5 97.0 9.1 98.0 11.4 99.0 4.8 110.0 2.1 111.0 100.0 112.0 22.3 113.0 1.7 115.0 1.1 116.0 1.1 117.0 7.6 125.0 3.0 135.0 1.1 136.0 1.9 138.0 3.8 148.0 2.0 149.0 1.4 153.0 4.4 162.0 2.9 191.0 1.5
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C9 H13 N3 O4 0.048 g : 0.5 ml DMSO-d6 2'-deoxycytidine hydrochloride 
Assign. Shift(ppm)
A *1 9.92 B *1 8.78 C 8.268 D 6.216 E 6.062 F 4.245 G 3.855 J *2 3.615 K *2 3.572 L *3 2.233 M *3 2.145
Hz ppm Int.3964.36 9.920 530 3510.74 8.785 496 3308.59 8.279 850 3300.54 8.259 898 2488.53 6.227 983 2480.71 6.208 1000 2429.44 6.079 377 2423.10 6.064 818 2416.99 6.048 380 1703.61 4.263 207 1699.71 4.253 376 1697.75 4.249 340 1696.04 4.244 323 1694.09 4.239 401 1690.19 4.230 223 1546.39 3.870 214 1542.72 3.861 603 1539.31 3.852 609 1535.64 3.843 233 1455.32 3.642 216 1451.66 3.633 219 1443.12 3.611 598 1439.70 3.603 529 1433.11 3.586 544 1429.44 3.577 538 1420.90 3.556 232 1417.24 3.547 205 902.10 2.258 160 900.15 2.253 172 896.00 2.242 184 892.82 2.235 290 888.67 2.224 295 886.72 2.219 273 882.57 2.209 236 868.16 2.173 241 862.06 2.158 423 855.71 2.142 295 848.63 2.124 232
in D2O
in DMSO-d6
KBr disc
nujol mull
