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2-Benzyl-11,11-dimethyl-2-azatricyclo[6.4.0.0(1,6)]dodecane-3,9-dione
SpectraBase Compound ID AglIQhRhDjf
InChI InChI=1S/C20H25NO2/c1-19(2)11-17(22)16-10-15-8-9-18(23)21(20(15,16)13-19)12-14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3/t15?,16-,20+/m0/s1
InChIKey BJXRVTJOXIMXLV-XGNAPRINSA-N
Mol Weight 311.43 g/mol
Molecular Formula C20H25NO2
Exact Mass 311.188529 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5YLGxK0i6oM
Name 2-Benzyl-11,11-dimethyl-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 311.188529047 u
Formula C20H25NO2
InChI InChI=1S/C20H25NO2/c1-19(2)11-17(22)16-10-15-8-9-18(23)21(20(15,16)13-19)12-14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3/t15?,16-,20+/m0/s1
InChIKey BJXRVTJOXIMXLV-XGNAPRINSA-N
SMILES [C@@]123N(C(=O)CCC3C[C@]1(C(=O)CC(C2)(C)C)[H])CC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.972255