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1-(Phenylcarbonyl)pyrrolidine-3-carbaldehyde

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

1-(Phenylcarbonyl)pyrrolidine-3-carbaldehyde
SpectraBase Compound ID bJ946JcxQ
InChI InChI=1S/C12H13NO2/c14-9-10-6-7-13(8-10)12(15)11-4-2-1-3-5-11/h1-5,9-10H,6-8H2
InChIKey PCKGLAHFGMZTJK-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 C5kyeivRKQS
Name 1-(Phenylcarbonyl)pyrrolidine-3-carbaldehyde
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/c14-9-10-6-7-13(8-10)12(15)11-4-2-1-3-5-11/h1-5,9-10H,6-8H2
InChIKey PCKGLAHFGMZTJK-UHFFFAOYSA-N
Molecular Weight 203.241 g/mol
SMILES C(N1CC(C=O)CC1)(=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.884813