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N-Benzyl-3,4-dimethyl-5-methoxy-3-pyrrolin-2-one

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

N-Benzyl-3,4-dimethyl-5-methoxy-3-pyrrolin-2-one
SpectraBase Compound ID ACFYDXMIQPp
InChI InChI=1S/C14H17NO2/c1-10-11(2)14(17-3)15(13(10)16)9-12-7-5-4-6-8-12/h4-8,14H,9H2,1-3H3
InChIKey BDTMQUOWMAHRJI-UHFFFAOYSA-N
Mol Weight 231.29 g/mol
Molecular Formula C14H17NO2
Exact Mass 231.125929 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID OjY80IdJ3x
Name N-Benzyl-3,4-dimethyl-5-methoxy-3-pyrrolin-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 231.125928789 u
Formula C14H17NO2
InChI InChI=1S/C14H17NO2/c1-10-11(2)14(17-3)15(13(10)16)9-12-7-5-4-6-8-12/h4-8,14H,9H2,1-3H3
InChIKey BDTMQUOWMAHRJI-UHFFFAOYSA-N
Molecular Weight 231.295 g/mol
SMILES C1(N(C(C(=C1C)C)OC)CC=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.889435