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3-Deoxy-3-(4'-quinolyl)-1,2:5,6-di-O-isopropylidene-.alpha.,D-allofuranose
SpectraBase Compound ID 6PVlAa7FfYI
InChI InChI=1S/C21H25NO5/c1-20(2)23-11-15(25-20)17-16(18-19(24-17)27-21(3,4)26-18)13-9-10-22-14-8-6-5-7-12(13)14/h5-10,15-19H,11H2,1-4H3/t15-,16-,17-,18-,19-/m1/s1
InChIKey USQQUFRWAIUIFJ-FVVUREQNSA-N
Mol Weight 371.43 g/mol
Molecular Formula C21H25NO5
Exact Mass 371.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lhr6RfE2CWk
Name 3-Deoxy-3-(4'-quinolyl)-1,2:5,6-di-O-isopropylidene-.alpha.,D-allofuranose
Alternate Name(s) 4-[(3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-6-yl]quinoline
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Formula C21H25NO5
InChI InChI=1S/C21H25NO5/c1-20(2)23-11-15(25-20)17-16(18-19(24-17)27-21(3,4)26-18)13-9-10-22-14-8-6-5-7-12(13)14/h5-10,15-19H,11H2,1-4H3/t15-,16-,17-,18-,19-/m1/s1
InChIKey USQQUFRWAIUIFJ-FVVUREQNSA-N
Molecular Weight 371.433 g/mol
SMILES [C@]1([C@@]2([C@@](OC(O2)(C)C)(O[C@@]1([C@@]1(OC(C)(C)OC1)[H])[H])[H])[H])(c1c2c(cccc2)ncc1)[H]
SPLASH splash10-03e9-0879000000-dda00280aa05d856ded5
Source of Spectrum J-58-963-6
Wiley ID 1355022