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[1-Cyano-1-hydroxy-5-.beta.-D-ribofuranosyl]-isobiuret
SpectraBase Compound ID L7Dk507KUIW
InChI InChI=1S/C8H12N4O7/c9-2-12(18)8(17)11-7(16)10-6-5(15)4(14)3(1-13)19-6/h3-6,13-15,18H,1H2,(H2,10,11,16,17)/t3-,4-,5-,6-/m1/s1
InChIKey CDLATIJKRHJKCL-KVTDHHQDSA-N
Mol Weight 276.2 g/mol
Molecular Formula C8H12N4O7
Exact Mass 276.070599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 91yPvIjCQrU
Name [1-Cyano-1-hydroxy-5-.beta.-D-ribofuranosyl]-isobiuret
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12N4O7
InChI InChI=1S/C8H12N4O7/c9-2-12(18)8(17)11-7(16)10-6-5(15)4(14)3(1-13)19-6/h3-6,13-15,18H,1H2,(H2,10,11,16,17)/t3-,4-,5-,6-/m1/s1
InChIKey CDLATIJKRHJKCL-KVTDHHQDSA-N
Molecular Weight 276.205 g/mol
SMILES O[C@@]1([C@](O[C@]([C@@]1(O)[H])(NC(\N=C/(N(C#N)O)O)=O)[H])(CO)[H])[H]
SPLASH splash10-0002-0910000000-dd3ec81ac893e142a336
Source of Spectrum G-69-917-19
Wiley ID 1559632