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[2-(13)C-1,3-(15)N2]-2-(METHYLTHIO)-2'-DEOXYINOSINE
SpectraBase Compound ID 7YNK9lSB00A
InChI InChI=1S/C11H14N4O4S/c1-20-11-13-9-8(10(18)14-11)12-4-15(9)7-2-5(17)6(3-16)19-7/h4-7,16-17H,2-3H2,1H3,(H,13,14,18)/t5-,6+,7+/m0/s1/i11+1,13+1,14+1
InChIKey HXERMBGKTHREBB-ZOEUXYPKSA-N
Mol Weight 301.3 g/mol
Molecular Formula C1013CH14N215N2O4S
Exact Mass 301.071001 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ZS6F10IVdQ
Name [2-(13)C-1,3-(15)N2]-2-(METHYLTHIO)-2'-DEOXYINOSINE
Compound Number 12D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H14N215N2O4S
InChI InChI=1S/C11H14N4O4S/c1-20-11-13-9-8(10(18)14-11)12-4-15(9)7-2-5(17)6(3-16)19-7/h4-7,16-17H,2-3H2,1H3,(H,13,14,18)/t5-,6+,7+/m0/s1/i11+1,13+1,14+1
InChIKey HXERMBGKTHREBB-ZOEUXYPKSA-N
Literature Reference Author J.L.ABAD,B.L.GAFFNEY,R.A.JONES
Literature Reference Citation J.ORG.CHEM.,64,6575(1999)
Literature Reference DOI 10.1021/jo982372k
Solvent DMSO-D6
Source File Reference UWLU59441