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D-Ribitol, 1,4-anhydro-1-C-(2-chloro-5-methylimidazo[1,5-b]pyridazin-7-yl)-, (S)-
SpectraBase Compound ID LiKZjoOjwpk
InChI InChI=1S/C12H14ClN3O4/c1-5-6-2-3-8(13)15-16(6)12(14-5)11-10(19)9(18)7(4-17)20-11/h2-3,7,9-11,17-19H,4H2,1H3/t7-,9-,10-,11-/m1/s1
InChIKey ULDXQIWTKVHNOM-QCNRFFRDSA-N
Mol Weight 299.71 g/mol
Molecular Formula C12H14ClN3O4
Exact Mass 299.067284 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2c6aAooxT0k
Name D-Ribitol, 1,4-anhydro-1-C-(2-chloro-5-methylimidazo[1,5-b]pyridazin-7-yl)-, (S)-
Alternate Name(s) (1S)-1,4-anhydro-1-(2-chloro-5-methylimidazo[1,5-b]pyridazin-7-yl)-D-ribitol 2-Chloro-7.beta.-D-ribofuranosylimidazo[1,5-a]pyridazine Imidazo[1,5-b]pyridazine, D-ribitol deriv.
CAS Registry Number 90176-25-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14ClN3O4
InChI InChI=1S/C12H14ClN3O4/c1-5-6-2-3-8(13)15-16(6)12(14-5)11-10(19)9(18)7(4-17)20-11/h2-3,7,9-11,17-19H,4H2,1H3/t7-,9-,10-,11-/m1/s1
InChIKey ULDXQIWTKVHNOM-QCNRFFRDSA-N
Molecular Weight 299.714 g/mol
SMILES OC[C@]1(O[C@]([C@@]([C@@]1(O)[H])(O)[H])(c1[n]2c(C=CC(=N2)Cl)c(n1)C)[H])[H]
SPLASH splash10-01ot-0980000000-ff2c6b84c60b636d64cb
Source of Spectrum KC-1984-236-0
Wiley ID 1301736