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1H-Pyrrolizine-1-carboxaldehyde, hexahydro-5-oxo-, trans-(.+-.)-
SpectraBase Compound ID 9XtMtuQ12Br
InChI InChI=1S/C8H11NO2/c10-5-6-3-4-9-7(6)1-2-8(9)11/h5-7H,1-4H2/t6-,7+/m1/s1
InChIKey QUNHXAQCYHKALK-RQJHMYQMSA-N
Mol Weight 153.18 g/mol
Molecular Formula C8H11NO2
Exact Mass 153.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L8kpFPiHbjv
Name 1H-Pyrrolizine-1-carboxaldehyde, hexahydro-5-oxo-, trans-(.+-.)-
CAS Registry Number 97998-14-6
Comments Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 1150399 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11NO2
InChI InChI=1S/C8H11NO2/c10-5-6-3-4-9-7(6)1-2-8(9)11/h5-7H,1-4H2/t6-,7+/m1/s1
InChIKey QUNHXAQCYHKALK-RQJHMYQMSA-N
Molecular Weight 153.181 g/mol
SMILES [C@@]12(N(CC[C@@]2(C=O)[H])C(CC1)=O)[H]
SPLASH splash10-000b-9800000000-6d4950351b1a6c142929
Source of Spectrum J-54-4348-14
Synonyms (1S,7aS)-5-oxohexahydro-1H-pyrrolo[1,2-a]pyrrole-1-carbaldehyde (1S,8S)-5-ketopyrrolizidine-1-carbaldehyde (1S,8S)-5-oxidanylidene-1,2,3,6,7,8-hexahydropyrrolizine-1-carbaldehyde (1S,8S)-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-1-carbaldehyde (1S,8S)-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-1-carboxaldehyde 2-Formyl-5-azabicyclo[3.3.0]octan-6-one
Wiley ID 1821135