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3-Ethylidene-1-(4-methylphenyl)isoquinolin-4-one

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

3-Ethylidene-1-(4-methylphenyl)isoquinolin-4-one
SpectraBase Compound ID lkIBghQtdF
InChI InChI=1S/C18H15NO/c1-3-16-18(20)15-7-5-4-6-14(15)17(19-16)13-10-8-12(2)9-11-13/h3-11H,1-2H3/b16-3-
InChIKey UEWUOLKJFCQJGR-XFQLMFQHSA-N
Mol Weight 261.32 g/mol
Molecular Formula C18H15NO
Exact Mass 261.115364 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8WsTCshniHE
Name 3-Ethylidene-1-(4-methylphenyl)isoquinolin-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 261.115364106 u
Formula C18H15NO
InChI InChI=1S/C18H15NO/c1-3-16-18(20)15-7-5-4-6-14(15)17(19-16)13-10-8-12(2)9-11-13/h3-11H,1-2H3/b16-3-
InChIKey UEWUOLKJFCQJGR-XFQLMFQHSA-N
Molecular Weight 261.324 g/mol
SMILES C1(=N\C(C(C=2C=CC=CC12)=O)=C\C)C1=CC=C(C=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.913896