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N-Methyl-3-phenyl-5-n-propyl-2-azacyclopent-4-en-5-one

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

N-Methyl-3-phenyl-5-n-propyl-2-azacyclopent-4-en-5-one
SpectraBase Compound ID 4Vx7ILwT1CL
InChI InChI=1S/C14H17NO/c1-3-7-12-10-13(16)15(2)14(12)11-8-5-4-6-9-11/h4-6,8-9H,3,7,10H2,1-2H3
InChIKey AZLRQWLWGQMEQL-UHFFFAOYSA-N
Mol Weight 215.3 g/mol
Molecular Formula C14H17NO
Exact Mass 215.131014 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3MibWU2czvz
Name N-Methyl-3-phenyl-5-N-propyl-2-azacyclopent-4-en-5-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 215.131014170 u
Formula C14H17NO
InChI InChI=1S/C14H17NO/c1-3-7-12-10-13(16)15(2)14(12)11-8-5-4-6-9-11/h4-6,8-9H,3,7,10H2,1-2H3
InChIKey AZLRQWLWGQMEQL-UHFFFAOYSA-N
Molecular Weight 215.296 g/mol
SMILES C=1(N(C(CC1CCC)=O)C)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.883696