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(S)-8a-(2-nitrobenzyl)hexahydroindolizine-5,8-dione
SpectraBase Compound ID DVxzrKUlsSe
InChI InChI=1S/C15H16N2O4/c18-13-6-7-14(19)16-9-3-8-15(13,16)10-11-4-1-2-5-12(11)17(20)21/h1-2,4-5H,3,6-10H2/t15-/m0/s1
InChIKey ZMPLKGUAGKCNLF-HNNXBMFYSA-N
Mol Weight 288.3 g/mol
Molecular Formula C15H16N2O4
Exact Mass 288.111007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JsFYDp34rFe
Name (S)-8a-(2-nitrobenzyl)hexahydroindolizine-5,8-dione
Appearance Light yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.111006999 u
Formula C15H16N2O4
InChI InChI=1S/C15H16N2O4/c18-13-6-7-14(19)16-9-3-8-15(13,16)10-11-4-1-2-5-12(11)17(20)21/h1-2,4-5H,3,6-10H2/t15-/m0/s1
InChIKey ZMPLKGUAGKCNLF-HNNXBMFYSA-N
Instrument Name Shimadzu GCMSQP2010SE
Ionization Type EI
Literature Reference DOI 10.1002/anie.202107909
Optical Rotation [a]D30 = 41 (c = 1.0, CHCl3)
Quality 119
SMILES C1C([C@@]2(N(C(C1)=O)CCC2)CC1=C(C=CC=C1)[N+]([O-])=O)=O
SPLASH splash10-067i-4900000000-24206c7398738b42f996
Sample Comments 99% ee
Source of Spectrum ACI-60-SM60-4f (DOI: 10.1002/anie.202107909)
Wiley ID 1891386