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Pyrrolidinopropiophenone-m (oxo-) @P454

View entire compound with spectra: 1 NMR, 1 FTIR, 1 MS (GC), and 2 MS (LC)

Pyrrolidinopropiophenone-m (oxo-) @P454
SpectraBase Compound ID 21iG5LZWEHZ
InChI InChI=1S/C13H15NO2/c1-10(14-9-5-8-12(14)15)13(16)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3
InChIKey LZFDBIIMVDBINR-UHFFFAOYSA-N
Mol Weight 217.27 g/mol
Molecular Formula C13H15NO2
Exact Mass 217.110279 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2Nyo6TDsZVH
Name Pyrrolidinopropiophenone-m (oxo-) @P454
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 217.110278725 u
Formula C13H15NO2
InChI InChI=1S/C13H15NO2/c1-10(14-9-5-8-12(14)15)13(16)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3
InChIKey LZFDBIIMVDBINR-UHFFFAOYSA-N
Molecular Weight 217.268 g/mol
SMILES C=1C=C(C(C(C)N2CCCC2=O)=O)C=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.979812