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N-Benzyl-4,4',4''-trimethoxytritylamine

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

N-Benzyl-4,4',4''-trimethoxytritylamine
SpectraBase Compound ID CKVyRyGTUWQ
InChI InChI=1S/C29H29NO3/c1-31-26-15-9-23(10-16-26)29(24-11-17-27(32-2)18-12-24,25-13-19-28(33-3)20-14-25)30-21-22-7-5-4-6-8-22/h4-20,30H,21H2,1-3H3
InChIKey YTKKRFZERCGUAC-UHFFFAOYSA-N
Mol Weight 439.56 g/mol
Molecular Formula C29H29NO3
Exact Mass 439.214744 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1cHKJ7F7Doe
Name N-Benzyl-4,4',4''-trimethoxytritylamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 439.214743795 u
Formula C29H29NO3
InChI InChI=1S/C29H29NO3/c1-31-26-15-9-23(10-16-26)29(24-11-17-27(32-2)18-12-24,25-13-19-28(33-3)20-14-25)30-21-22-7-5-4-6-8-22/h4-20,30H,21H2,1-3H3
InChIKey YTKKRFZERCGUAC-UHFFFAOYSA-N
Molecular Weight 439.555 g/mol
SMILES C(NCC1=CC=CC=C1)(C1=CC=C(C=C1)OC)(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.887614