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(S)-8a-(4-methoxybenzyl)hexahydroindolizine-5,8-dione
SpectraBase Compound ID 1hEkf0U3c9T
InChI InChI=1S/C16H19NO3/c1-20-13-5-3-12(4-6-13)11-16-9-2-10-17(16)15(19)8-7-14(16)18/h3-6H,2,7-11H2,1H3/t16-/m0/s1
InChIKey ULDGSFPSMSQNSF-INIZCTEOSA-N
Mol Weight 273.33 g/mol
Molecular Formula C16H19NO3
Exact Mass 273.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1LBxgebVhmK
Name (S)-8a-(4-methoxybenzyl)hexahydroindolizine-5,8-dione
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 273.136493473 u
Formula C16H19NO3
InChI InChI=1S/C16H19NO3/c1-20-13-5-3-12(4-6-13)11-16-9-2-10-17(16)15(19)8-7-14(16)18/h3-6H,2,7-11H2,1H3/t16-/m0/s1
InChIKey ULDGSFPSMSQNSF-INIZCTEOSA-N
Instrument Name Shimadzu GCMSQP2010SE
Ionization Type EI
Literature Reference DOI 10.1002/anie.202107909
Optical Rotation [a]D29 = 168 (c = 1.0, CHCl3)
Quality 145
SMILES C1C([C@@]2(N(C(C1)=O)CCC2)CC1=CC=C(C=C1)OC)=O
SPLASH splash10-00di-9400000000-b8a42dacc37a06cf5299
Sample Comments 99% ee
Source of Spectrum ACI-60-SM59-4d (DOI: 10.1002/anie.202107909)
Wiley ID 1891384