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2C-tfm N,N-bis(4-Methoxybenzyl)

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

2C-tfm N,N-bis(4-Methoxybenzyl)
SpectraBase Compound ID 5ll3MX24Ork
InChI InChI=1S/C27H30F3NO4/c1-32-22-9-5-19(6-10-22)17-31(18-20-7-11-23(33-2)12-8-20)14-13-21-15-26(35-4)24(27(28,29)30)16-25(21)34-3/h5-12,15-16H,13-14,17-18H2,1-4H3
InChIKey BSIMGXXLZJQVDQ-UHFFFAOYSA-N
Mol Weight 489.54 g/mol
Molecular Formula C27H30F3NO4
Exact Mass 489.212693 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID QF9EsXeYd1
Name 2C-tfm N,N-bis(4-Methoxybenzyl)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 489.212692935 u
Formula C27H30F3NO4
InChI InChI=1S/C27H30F3NO4/c1-32-22-9-5-19(6-10-22)17-31(18-20-7-11-23(33-2)12-8-20)14-13-21-15-26(35-4)24(27(28,29)30)16-25(21)34-3/h5-12,15-16H,13-14,17-18H2,1-4H3
InChIKey BSIMGXXLZJQVDQ-UHFFFAOYSA-N
Molecular Weight 489.535 g/mol
SMILES C(C1=C(C=C(C(=C1)OC)CCN(CC=1C=CC(=CC1)OC)CC1=CC=C(C=C1)OC)OC)(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951845