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N-Methyl-4-(but-3-en-1-ylidene-3,4-dihydro-1H-isoquinolin-1-one

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

N-Methyl-4-(but-3-en-1-ylidene-3,4-dihydro-1H-isoquinolin-1-one
SpectraBase Compound ID BMzJeTsevxv
InChI InChI=1S/C14H15NO/c1-3-4-7-11-10-15(2)14(16)13-9-6-5-8-12(11)13/h3,5-9H,1,4,10H2,2H3
InChIKey VGUHNMZWACYRKT-UHFFFAOYSA-N
Mol Weight 213.28 g/mol
Molecular Formula C14H15NO
Exact Mass 213.115364 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1fNN71phikO
Name N-Methyl-4-(but-3-en-1-ylidene-3,4-dihydro-1H-isoquinolin-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 213.115364106 u
Formula C14H15NO
InChI InChI=1S/C14H15NO/c1-3-4-7-11-10-15(2)14(16)13-9-6-5-8-12(11)13/h3,5-9H,1,4,10H2,2H3
InChIKey VGUHNMZWACYRKT-UHFFFAOYSA-N
Molecular Weight 213.280 g/mol
SMILES C1(N(CC(C2=C1C=CC=C2)=CCC=C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.889006