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(1RS,2RS,6SR)-Methyl 8-Benzyl-9-oxo-8-azabicyclo[4.3.0]non-4-ene-2-carboxylate
SpectraBase Compound ID FuHBOVBWHMY
InChI InChI=1S/C17H19NO3/c1-21-17(20)14-9-5-8-13-11-18(16(19)15(13)14)10-12-6-3-2-4-7-12/h2-8,13-15H,9-11H2,1H3
InChIKey MIVBRKCFHJKKAG-UHFFFAOYSA-N
Mol Weight 285.34 g/mol
Molecular Formula C17H19NO3
Exact Mass 285.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5WN0ZAU75KU
Name (1RS,2RS,6SR)-Methyl 8-Benzyl-9-oxo-8-azabicyclo[4.3.0]non-4-ene-2-carboxylate
Alternate Name(s) Methyl 2-benzyl-3-oxo-2,3,3a,4,5,7a-hexahydro-1H-isoindole-4-carboxylate
CAS Registry Number 122457-50-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO3
InChI InChI=1S/C17H19NO3/c1-21-17(20)14-9-5-8-13-11-18(16(19)15(13)14)10-12-6-3-2-4-7-12/h2-8,13-15H,9-11H2,1H3
InChIKey MIVBRKCFHJKKAG-UHFFFAOYSA-N
Molecular Weight 285.343 g/mol
SMILES C1(N(CC2C=CCC(C12)C(=O)OC)Cc1ccccc1)=O
SPLASH splash10-000f-8090000000-8b3240e83094d2374774
Source of Spectrum KC-1989-1004-38
Wiley ID 1289054