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(S)-8a-(3-methylbut-2-en-1-yl)hexahydroindolizine-5,8-dione
SpectraBase Compound ID FQC8IaLeN5J
InChI InChI=1S/C13H19NO2/c1-10(2)6-8-13-7-3-9-14(13)12(16)5-4-11(13)15/h6H,3-5,7-9H2,1-2H3/t13-/m0/s1
InChIKey MNZQZHISEYGCSW-ZDUSSCGKSA-N
Mol Weight 221.3 g/mol
Molecular Formula C13H19NO2
Exact Mass 221.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4yWSArX2BhO
Name (S)-8a-(3-methylbut-2-en-1-yl)hexahydroindolizine-5,8-dione
Appearance Colourless liquid
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Exact Mass 221.141578854 u
Formula C13H19NO2
InChI InChI=1S/C13H19NO2/c1-10(2)6-8-13-7-3-9-14(13)12(16)5-4-11(13)15/h6H,3-5,7-9H2,1-2H3/t13-/m0/s1
InChIKey MNZQZHISEYGCSW-ZDUSSCGKSA-N
Instrument Name Shimadzu GCMSQP2010SE
Ionization Type EI
Literature Reference DOI 10.1002/anie.202107909
Molecular Weight 221.300 g/mol
Optical Rotation [a]D27 = 169 (c = 1.0, CHCl3)
Quality 159
SMILES C1C([C@@]2(N(C(C1)=O)CCC2)CC=C(C)C)=O
SPLASH splash10-0ab9-9000000000-4a2f56ed8d44328d3bcb
Sample Comments 99% ee
Source of Spectrum ACI-60-SM66-4q (DOI: 10.1002/anie.202107909)
Wiley ID 1891395