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2C-tbu N-(3-Methoxybenzyl)

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

2C-tbu N-(3-Methoxybenzyl)
SpectraBase Compound ID CzhzrTXpJ1i
InChI InChI=1S/C22H31NO3/c1-22(2,3)19-14-20(25-5)17(13-21(19)26-6)10-11-23-15-16-8-7-9-18(12-16)24-4/h7-9,12-14,23H,10-11,15H2,1-6H3
InChIKey BEEPJSMBTIMGGL-UHFFFAOYSA-N
Mol Weight 357.49 g/mol
Molecular Formula C22H31NO3
Exact Mass 357.230394 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 68LoZwdThjl
Name 2C-tbu N-(3-Methoxybenzyl)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 357.230393859 u
Formula C22H31NO3
InChI InChI=1S/C22H31NO3/c1-22(2,3)19-14-20(25-5)17(13-21(19)26-6)10-11-23-15-16-8-7-9-18(12-16)24-4/h7-9,12-14,23H,10-11,15H2,1-6H3
InChIKey BEEPJSMBTIMGGL-UHFFFAOYSA-N
Molecular Weight 357.494 g/mol
SMILES C1(=C(C=C(C(=C1)OC)CCNCC=1C=C(C=CC1)OC)OC)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.918982