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1-Methoxy-3-[1-(4-methoxyphenyl)pentylidene]isoindole

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

1-Methoxy-3-[1-(4-methoxyphenyl)pentylidene]isoindole
SpectraBase Compound ID 2qOB0RiwKXU
InChI InChI=1S/C21H23NO2/c1-4-5-8-17(15-11-13-16(23-2)14-12-15)20-18-9-6-7-10-19(18)21(22-20)24-3/h6-7,9-14H,4-5,8H2,1-3H3/b20-17+
InChIKey ITLTYYMVCGYNJS-LVZFUZTISA-N
Mol Weight 321.42 g/mol
Molecular Formula C21H23NO2
Exact Mass 321.172879 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4tFipvIgaiH
Name 1-Methoxy-3-[1-(4-methoxyphenyl)pentylidene]isoindole
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 321.172878983 u
Formula C21H23NO2
InChI InChI=1S/C21H23NO2/c1-4-5-8-17(15-11-13-16(23-2)14-12-15)20-18-9-6-7-10-19(18)21(22-20)24-3/h6-7,9-14H,4-5,8H2,1-3H3/b20-17+
InChIKey ITLTYYMVCGYNJS-LVZFUZTISA-N
Molecular Weight 321.420 g/mol
SMILES C1(=N\C(C2=C1C=CC=C2)=C/(C=1C=CC(=CC1)OC)CCCC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.833616