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3-Isobutyl-4-phenyl-1H-pyrrole-2,5-dione

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

3-Isobutyl-4-phenyl-1H-pyrrole-2,5-dione
SpectraBase Compound ID DRVGaizRKne
InChI InChI=1S/C14H15NO2/c1-9(2)8-11-12(14(17)15-13(11)16)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,15,16,17)
InChIKey IDKIWFDHURBBKW-UHFFFAOYSA-N
Mol Weight 229.28 g/mol
Molecular Formula C14H15NO2
Exact Mass 229.110279 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5tye5b9vFoq
Name 3-Isobutyl-4-phenyl-1H-pyrrole-2,5-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 229.110278725 u
Formula C14H15NO2
InChI InChI=1S/C14H15NO2/c1-9(2)8-11-12(14(17)15-13(11)16)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,15,16,17)
InChIKey IDKIWFDHURBBKW-UHFFFAOYSA-N
Molecular Weight 229.279 g/mol
SMILES C1(NC(C(=C1CC(C)C)C=1C=CC=CC1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.813996