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2-Benzyl-2-azatricyclo[6.4.0.0(1,6)]dodecane-3,9-dione

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

2-Benzyl-2-azatricyclo[6.4.0.0(1,6)]dodecane-3,9-dione
SpectraBase Compound ID 5RdBH1bDWMe
InChI InChI=1S/C18H21NO2/c20-16-7-4-10-18-14(11-15(16)18)8-9-17(21)19(18)12-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2
InChIKey OHVJVWJIIJVTGV-UHFFFAOYSA-N
Mol Weight 283.37 g/mol
Molecular Formula C18H21NO2
Exact Mass 283.157229 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I34vwc38lXg
Name 2-Benzyl-2-azatricyclo[6.4.0.0(1,6)]dodecane-3,9-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 283.157228918 u
Formula C18H21NO2
InChI InChI=1S/C18H21NO2/c20-16-7-4-10-18-14(11-15(16)18)8-9-17(21)19(18)12-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2
InChIKey OHVJVWJIIJVTGV-UHFFFAOYSA-N
SMILES C123N(C(CCC3CC1C(CCC2)=O)=O)CC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.944832