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(S)-8a-isobutylhexahydroindolizine-5,8-dione
SpectraBase Compound ID 4LSG0bfvt0h
InChI InChI=1S/C12H19NO2/c1-9(2)8-12-6-3-7-13(12)11(15)5-4-10(12)14/h9H,3-8H2,1-2H3/t12-/m0/s1
InChIKey RJECBDFBTQKMCV-LBPRGKRZSA-N
Mol Weight 209.29 g/mol
Molecular Formula C12H19NO2
Exact Mass 209.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JRzQZ2oO0id
Name (S)-8a-isobutylhexahydroindolizine-5,8-dione
Appearance Colourless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 209.141578854 u
Formula C12H19NO2
InChI InChI=1S/C12H19NO2/c1-9(2)8-12-6-3-7-13(12)11(15)5-4-10(12)14/h9H,3-8H2,1-2H3/t12-/m0/s1
InChIKey RJECBDFBTQKMCV-LBPRGKRZSA-N
Instrument Name Shimadzu GCMSQP2010SE
Ionization Type EI
Literature Reference DOI 10.1002/anie.202107909
Molecular Weight 209.289 g/mol
Optical Rotation [a]D29 = 193 (c = 1.0, CHCl3)
Quality 181
SMILES C1C([C@@]2(N(C(C1)=O)CCC2)CC(C)C)=O
SPLASH splash10-0a4r-9200000000-aa25fe8ebddc000d5370
Sample Comments 96% ee
Source of Spectrum ACI-60-SM64-4m (DOI: 10.1002/anie.202107909)
Wiley ID 1891391