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9-Benzyloxy-9-methyl-4H-octahydroquinolizidine-6,8-dione

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

9-Benzyloxy-9-methyl-4H-octahydroquinolizidine-6,8-dione
SpectraBase Compound ID Do6COo7J6x2
InChI InChI=1S/C17H21NO3/c1-17(21-12-13-7-3-2-4-8-13)14-9-5-6-10-18(14)16(20)11-15(17)19/h2-4,7-8,14H,5-6,9-12H2,1H3/t14-,17+/m0/s1
InChIKey NOMDZRTVUKWFLW-WMLDXEAASA-N
Mol Weight 287.36 g/mol
Molecular Formula C17H21NO3
Exact Mass 287.152144 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6EdwrYSCL7g
Name 9-Benzyloxy-9-methyl-4H-octahydroquinolizidine-6,8-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 287.152143537 u
Formula C17H21NO3
InChI InChI=1S/C17H21NO3/c1-17(21-12-13-7-3-2-4-8-13)14-9-5-6-10-18(14)16(20)11-15(17)19/h2-4,7-8,14H,5-6,9-12H2,1H3/t14-,17+/m0/s1
InChIKey NOMDZRTVUKWFLW-WMLDXEAASA-N
SMILES [C@@]1([C@]2(N(CCCC2)C(CC1=O)=O)[H])(OCC1=CC=CC=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.963885