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5,6-Dideoxy-1,2-O-isopropylidene-7-benzyloxyimino-3-O-thiocarbonylimidazole-.alpha.,D-xylo-heptodialdo-1,4-furanose
SpectraBase Compound ID 3pmO5p6gcKy
InChI InChI=1S/C21H25N3O5S/c1-21(2)28-17-16(27-20(30)18-22-11-12-23-18)15(26-19(17)29-21)9-6-10-24-25-13-14-7-4-3-5-8-14/h3-5,7-8,10-12,15-17,19H,6,9,13H2,1-2H3,(H,22,23)/b24-10+/t15-,16+,17-,19-/m1/s1
InChIKey FOOFJWBKAPMLHM-UNSLMRQKSA-N
Mol Weight 431.51 g/mol
Molecular Formula C21H25N3O5S
Exact Mass 431.151492 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 48OtffKUChb
Name 5,6-Dideoxy-1,2-O-isopropylidene-7-benzyloxyimino-3-O-thiocarbonylimidazole-.alpha.,D-xylo-heptodialdo-1,4-furanose
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25N3O5S
InChI InChI=1S/C21H25N3O5S/c1-21(2)28-17-16(27-20(30)18-22-11-12-23-18)15(26-19(17)29-21)9-6-10-24-25-13-14-7-4-3-5-8-14/h3-5,7-8,10-12,15-17,19H,6,9,13H2,1-2H3,(H,22,23)/b24-10+/t15-,16+,17-,19-/m1/s1
InChIKey FOOFJWBKAPMLHM-UNSLMRQKSA-N
Molecular Weight 431.507 g/mol
SMILES [nH]1ccnc1C(O[C@@]1([C@@]2([C@@](OC(O2)(C)C)(O[C@@]1(CC\C=N\OCc1ccccc1)[H])[H])[H])[H])=S
SPLASH splash10-0006-9000000000-d7a58451ffca25bf33ce
Source of Spectrum F-49-6684-1
Synonyms (3aR,5R,6S,6aR)-5-[(3E)-3-[(benzyloxy)imino]propyl]-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-6-yl 1H-imidazole-2-carbothioate
Wiley ID 1381935