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1(R)-acetoxy-7(S)-(acetoxymethyl)-7a(S)-hexahydro-6(S)-iodo-3H-pyrrolizin-3-one
SpectraBase Compound ID 5QYmN8Jbixh
InChI InChI=1S/C12H16INO5/c1-6(15)18-5-8-9(13)4-14-11(17)3-10(12(8)14)19-7(2)16/h8-10,12H,3-5H2,1-2H3/t8-,9-,10+,12-/m0/s1
InChIKey NNMXMBRKSLGAIF-GUDRVLHUSA-N
Mol Weight 381.17 g/mol
Molecular Formula C12H16INO5
Exact Mass 381.007318 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GtbKDwbKW7k
Name 1(R)-acetoxy-7(S)-(acetoxymethyl)-7a(S)-hexahydro-6(S)-iodo-3H-pyrrolizin-3-one
Alternate Name(s) 1(R)-acetoxy-7(S)-(acetoxymethyl)-7a(S)-hexahydro-6(R)-iodo-3H-pyrrolizin-3-one [(1S,2R,7R,7aS)-7-(acetyloxy)-2-iodo-5-oxohexahydro-1H-pyrrolo[1,2-a]pyrrol-1-yl]methyl acetate
CAS Registry Number 94162-51-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16INO5
InChI InChI=1S/C12H16INO5/c1-6(15)18-5-8-9(13)4-14-11(17)3-10(12(8)14)19-7(2)16/h8-10,12H,3-5H2,1-2H3/t8-,9-,10+,12-/m0/s1
InChIKey NNMXMBRKSLGAIF-GUDRVLHUSA-N
Molecular Weight 381.166 g/mol
SMILES C1(N2[C@]([C@@](C1)(OC(=O)C)[H])([C@@](COC(=O)C)([C@](C2)(I)[H])[H])[H])=O
SPLASH splash10-08gi-3950000000-83aa0bcbfc509a6b6f52
Source of Spectrum J-50-241-52
Wiley ID 1360054