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1-Azetidin-1-yl-3-phenyl-propane-1,3-dione

View entire compound with spectra: 1 NMR, and 1 FTIR

1-Azetidin-1-yl-3-phenyl-propane-1,3-dione
SpectraBase Compound ID 9fgUuE5kVjN
InChI InChI=1S/C12H13NO2/c14-11(10-5-2-1-3-6-10)9-12(15)13-7-4-8-13/h1-3,5-6H,4,7-9H2
InChIKey QQYFTOBTMIPZHD-UHFFFAOYSA-N
Mol Weight 203.24 g/mol
Molecular Formula C12H13NO2
Exact Mass 203.094629 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HXaUS0PrhP8
Name 1-Azetidin-1-yl-3-phenyl-propane-1,3-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 203.094628661 u
Formula C12H13NO2
InChI InChI=1S/C12H13NO2/c14-11(10-5-2-1-3-6-10)9-12(15)13-7-4-8-13/h1-3,5-6H,4,7-9H2
InChIKey QQYFTOBTMIPZHD-UHFFFAOYSA-N
Molecular Weight 203.241 g/mol
SMILES C1=CC=C(C=C1)C(=O)CC(=O)N1CCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.818813