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1-[5,6-Dideoxy-6-(p-toluenesulfonyl).beta.-D-ribo-hex-5(E)-enofuranosyl]uracil
SpectraBase Compound ID GpIjH3bj3ox
InChI InChI=1S/C17H18N2O7S/c1-10-2-4-11(5-3-10)27(24,25)9-7-12-14(21)15(22)16(26-12)19-8-6-13(20)18-17(19)23/h2-9,12,14-16,21-22H,1H3,(H,18,20,23)/b9-7+/t12?,14-,15-,16-/m1/s1
InChIKey AIYYBMFCPZLUSO-DBEHUSLWSA-N
Mol Weight 394.4 g/mol
Molecular Formula C17H18N2O7S
Exact Mass 394.083472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EP632N1SjVH
Name 1-[5,6-Dideoxy-6-(p-toluenesulfonyl).beta.-D-ribo-hex-5(E)-enofuranosyl]uracil
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Formula C17H18N2O7S
InChI InChI=1S/C17H18N2O7S/c1-10-2-4-11(5-3-10)27(24,25)9-7-12-14(21)15(22)16(26-12)19-8-6-13(20)18-17(19)23/h2-9,12,14-16,21-22H,1H3,(H,18,20,23)/b9-7+/t12?,14-,15-,16-/m1/s1
InChIKey AIYYBMFCPZLUSO-DBEHUSLWSA-N
Molecular Weight 394.398 g/mol
SMILES O[C@@]1(C(O[C@]([C@@]1(O)[H])(N1C(NC(C=C1)=O)=O)[H])\C=C\S(c1ccc(cc1)C)(=O)=O)[H]
SPLASH splash10-0229-0790000000-3aa043ae8fdd5dd42cb7
Source of Spectrum I-69-2109-5
Synonyms 1-[(2R,3R,4S)-3,4-dihydroxy-5-[(E)-2-[(4-methylbenzene)sulfonyl]ethenyl]oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
Wiley ID 1366482