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N-Benzyl-4-methyl-5,5-dimethoxy-3-pyrrolin-2-one

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

N-Benzyl-4-methyl-5,5-dimethoxy-3-pyrrolin-2-one
SpectraBase Compound ID KiWna57Tqzc
InChI InChI=1S/C14H17NO3/c1-11-9-13(16)15(14(11,17-2)18-3)10-12-7-5-4-6-8-12/h4-9H,10H2,1-3H3
InChIKey BMJQTTKLEWLOAZ-UHFFFAOYSA-N
Mol Weight 247.29 g/mol
Molecular Formula C14H17NO3
Exact Mass 247.120843 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 719ITeC11fy
Name N-Benzyl-4-methyl-5,5-dimethoxy-3-pyrrolin-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 247.120843408 u
Formula C14H17NO3
InChI InChI=1S/C14H17NO3/c1-11-9-13(16)15(14(11,17-2)18-3)10-12-7-5-4-6-8-12/h4-9H,10H2,1-3H3
InChIKey BMJQTTKLEWLOAZ-UHFFFAOYSA-N
Molecular Weight 247.294 g/mol
SMILES C1(N(C(C=C1C)=O)CC=1C=CC=CC1)(OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.946961