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3-Azabicyclo[3.3.0]octane-2,4-dione, 7-methylene-3-phenyl-

View entire compound with spectra: 1 FTIR, and 3 MS (GC)

3-Azabicyclo[3.3.0]octane-2,4-dione, 7-methylene-3-phenyl-
SpectraBase Compound ID 2s8C7yOL46f
InChI InChI=1S/C14H13NO2/c1-9-7-11-12(8-9)14(17)15(13(11)16)10-5-3-2-4-6-10/h2-6,11-12H,1,7-8H2
InChIKey HHEXDGPKJSOLCL-UHFFFAOYSA-N
Mol Weight 227.26 g/mol
Molecular Formula C14H13NO2
Exact Mass 227.094629 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L2VP1kEBxGG
Name 3-Azabicyclo[3.3.0]octane-2,4-dione, 7-methylene-3-phenyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 227.094628661 u
Formula C14H13NO2
InChI InChI=1S/C14H13NO2/c1-9-7-11-12(8-9)14(17)15(13(11)16)10-5-3-2-4-6-10/h2-6,11-12H,1,7-8H2
InChIKey HHEXDGPKJSOLCL-UHFFFAOYSA-N
Molecular Weight 227.263 g/mol
SMILES C1(=O)C2CC(=C)CC2C(N1C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.811076