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2C-ip N-(4-Methoxybenzyl)-A (-2H)

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

2C-ip N-(4-Methoxybenzyl)-A (-2H)
SpectraBase Compound ID YN2TMkPebL
InChI InChI=1S/C21H27NO3/c1-15(2)19-13-20(24-4)17(12-21(19)25-5)10-11-22-14-16-6-8-18(23-3)9-7-16/h6-9,12-15H,10-11H2,1-5H3/b22-14+
InChIKey WISXJIXVKPWPRO-HYARGMPZSA-N
Mol Weight 341.45 g/mol
Molecular Formula C21H27NO3
Exact Mass 341.199094 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ko3jOjA57is
Name 2C-ip N-(4-Methoxybenzyl)-A (-2H)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 341.199093730 u
Formula C21H27NO3
InChI InChI=1S/C21H27NO3/c1-15(2)19-13-20(24-4)17(12-21(19)25-5)10-11-22-14-16-6-8-18(23-3)9-7-16/h6-9,12-15H,10-11H2,1-5H3/b22-14+
InChIKey WISXJIXVKPWPRO-HYARGMPZSA-N
Molecular Weight 341.451 g/mol
SMILES C1(=C(C=C(C(=C1)OC)CC\N=C\C1=CC=C(C=C1)OC)OC)C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.918665