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3H-Pyrrolizin-3-one, 1-(acetyloxy)-7-[(acetyloxy)methyl]hexahydro-, [1R-(1.alpha.,7.alpha.,7a.alpha.)]-
SpectraBase Compound ID IPkkgm2phZ6
InChI InChI=1S/C12H17NO5/c1-7(14)17-6-9-3-4-13-11(16)5-10(12(9)13)18-8(2)15/h9-10,12H,3-6H2,1-2H3/t9-,10-,12+/m1/s1
InChIKey NCUPMEDYSVLQHZ-FOGDFJRCSA-N
Mol Weight 255.27 g/mol
Molecular Formula C12H17NO5
Exact Mass 255.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LMrpyEmYhC8
Name 3H-Pyrrolizin-3-one, 1-(acetyloxy)-7-[(acetyloxy)methyl]hexahydro-, [1R-(1.alpha.,7.alpha.,7a.alpha.)]-
Alternate Name(s) (1R,7S,7aS)-7-[(acetyloxy)methyl]-3-oxohexahydro-1H-pyrrolo[1,2-a]pyrrol-1-yl acetate 1(R)-acetoxy-7(S)-(acetoxymethyl)-7a(S)-hexahydro-3H-pyrrolizin-3-one
CAS Registry Number 86534-29-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO5
InChI InChI=1S/C12H17NO5/c1-7(14)17-6-9-3-4-13-11(16)5-10(12(9)13)18-8(2)15/h9-10,12H,3-6H2,1-2H3/t9-,10-,12+/m1/s1
InChIKey NCUPMEDYSVLQHZ-FOGDFJRCSA-N
Molecular Weight 255.270 g/mol
SMILES C1(N2[C@]([C@@](C1)(OC(=O)C)[H])([C@@](COC(=O)C)(CC2)[H])[H])=O
SPLASH splash10-000i-1900000000-b8441320ebbe41845456
Source of Spectrum J-50-241-54
Wiley ID 1258693