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2-Oxa-5-azabicyclo[2.2.2]octane-7,8-diol, 5-acetyl-3-methoxy-, diacetate (ester), [1R-(1.alpha.,3.alpha.,4.alpha.,7R*,8S*)]-
SpectraBase Compound ID JavxCFFE0qz
InChI InChI=1S/C13H19NO7/c1-6(15)14-5-9-11(19-7(2)16)12(20-8(3)17)10(14)13(18-4)21-9/h9-13H,5H2,1-4H3/t9-,10+,11-,12-,13-/m0/s1
InChIKey HLDZKYADVRXHHU-PPCPHDFISA-N
Mol Weight 301.3 g/mol
Molecular Formula C13H19NO7
Exact Mass 301.116152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FEVqsYubryL
Name 2-Oxa-5-azabicyclo[2.2.2]octane-7,8-diol, 5-acetyl-3-methoxy-, diacetate (ester), [1R-(1.alpha.,3.alpha.,4.alpha.,7R*,8S*)]-
CAS Registry Number 120191-61-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO7
InChI InChI=1S/C13H19NO7/c1-6(15)14-5-9-11(19-7(2)16)12(20-8(3)17)10(14)13(18-4)21-9/h9-13H,5H2,1-4H3/t9-,10+,11-,12-,13-/m0/s1
InChIKey HLDZKYADVRXHHU-PPCPHDFISA-N
Molecular Weight 301.295 g/mol
SMILES [C@@]12(N(C[C@@]([C@@]([C@]2(OC(=O)C)[H])(OC(=O)C)[H])(O[C@@]1(OC)[H])[H])C(=O)C)[H]
SPLASH splash10-0006-9000000000-bc26b297e5dd360d0910
Source of Spectrum F-44-6160-13
Synonyms (1R,3S,4R,7S,8S)-5-acetyl-7-(acetyloxy)-3-methoxy-2-oxa-5-azabicyclo[2.2.2]oct-8-yl acetate Methyl 3,4-di-O-acetyl-2,6-acetylimino-2,6-dideoxy-.alpha.-D-altropyranoside
Wiley ID 1303645