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9-(2,3:4,5-bis-o-Isopropylidene)-D-ribitylhypoxanthine

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9-(2,3:4,5-bis-o-Isopropylidene)-D-ribitylhypoxanthine
SpectraBase Compound ID EQ5t1F4pgS8
InChI InChI=1S/C16H22N4O5/c1-15(2)22-6-10(24-15)12-9(23-16(3,4)25-12)5-20-8-19-11-13(20)17-7-18-14(11)21/h7-10,12H,5-6H2,1-4H3,(H,17,18,21)/t9-,10+,12-/m0/s1
InChIKey HKOOGEKLMBLCRQ-UMNHJUIQSA-N
Mol Weight 350.38 g/mol
Molecular Formula C16H22N4O5
Exact Mass 350.15902 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ELjOIbxHwFB
Name 9-(2,3:4,5-bis-o-Isopropylidene)-D-ribitylhypoxanthine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.159019819 u
Formula C16H22N4O5
InChI InChI=1S/C16H22N4O5/c1-15(2)22-6-10(24-15)12-9(23-16(3,4)25-12)5-20-8-19-11-13(20)17-7-18-14(11)21/h7-10,12H,5-6H2,1-4H3,(H,17,18,21)/t9-,10+,12-/m0/s1
InChIKey HKOOGEKLMBLCRQ-UMNHJUIQSA-N
Molecular Weight 350.375 g/mol
SMILES C12=C(N(C[C@]3([C@@]([C@@]4(OC(C)(C)OC4)[H])(OC(O3)(C)C)[H])[H])C=N1)N=CNC2=O