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(S)-8a-(2-methylallyl)hexahydroindolizine-5,8-dione
SpectraBase Compound ID 1rXhJDHpJy6
InChI InChI=1S/C12H17NO2/c1-9(2)8-12-6-3-7-13(12)11(15)5-4-10(12)14/h1,3-8H2,2H3/t12-/m0/s1
InChIKey RLMCQVOGYFXCIT-LBPRGKRZSA-N
Mol Weight 207.27 g/mol
Molecular Formula C12H17NO2
Exact Mass 207.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 77n3oNnRu16
Name (S)-8a-(2-methylallyl)hexahydroindolizine-5,8-dione
Appearance Colourless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 207.125928789 u
Formula C12H17NO2
InChI InChI=1S/C12H17NO2/c1-9(2)8-12-6-3-7-13(12)11(15)5-4-10(12)14/h1,3-8H2,2H3/t12-/m0/s1
InChIKey RLMCQVOGYFXCIT-LBPRGKRZSA-N
Instrument Name Shimadzu GCMSQP2010SE
Ionization Type EI
Literature Reference DOI 10.1002/anie.202107909
Molecular Weight 207.273 g/mol
Optical Rotation [a]D27 = 250 (c = 1.0, CHCl3)
Quality 185
SMILES C1C([C@@]2(N(C(C1)=O)CCC2)CC(=C)C)=O
SPLASH splash10-0ab9-9500000000-921ce5b12bd7affa6701
Sample Comments 98% ee
Source of Spectrum ACI-60-SM65-4p (DOI: 10.1002/anie.202107909)
Wiley ID 1891394