1-beta-D-Arabinofuranosylcytosine hydrochloride(69-74-9) IR1
Product Name1-beta-D-Arabinofuranosylcytosine hydrochloride
CAS69-74-9
Molecular FormulaC9H14ClN3O5
Molecular Weight279.68
InChIInChI=1/C9H13N3O5.ClH/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8;/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16);1H/t4-,6-,7+,8-;/s3
InChIKey KCURWTAZOZXKSJ-HLZDQNJPNA-N
SmilesN1([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)C=CC(N)=NC1=O.[H]Cl |&1:1,3,6,8,r|
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Assign. Shift(ppm)
A 8.074 B 6.237 C 6.196 D 4.437 E 4.131 F 4.037 G *1 3.917 J *1 3.840 SOLVENT PEAK SUPPRESSEDSpectral Code: 1H NMR : 400 MHz in D2O
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ppm Int. Assign.
159.62 359 1 148.56 339 2 146.04 855 3 94.71 874 4 86.64 936 5 84.31 947 6 75.83 1000 7 * 75.42 883 8 * 61.08 866 9Spectral Code: 13C NMR : in D2O
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Spectral Code: IR : KBr disc
