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2C-tbu N-(3-Bromobenzyl)

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

2C-tbu N-(3-Bromobenzyl)
SpectraBase Compound ID BiOaG3LyDA0
InChI InChI=1S/C21H28BrNO2/c1-21(2,3)18-13-19(24-4)16(12-20(18)25-5)9-10-23-14-15-7-6-8-17(22)11-15/h6-8,11-13,23H,9-10,14H2,1-5H3
InChIKey FPZWRNOSRTZVSP-UHFFFAOYSA-N
Mol Weight 406.36 g/mol
Molecular Formula C21H28BrNO2
Exact Mass 405.130342 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EuipT5evVVG
Name 2C-tbu N-(3-Bromobenzyl)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 405.130342144 u
Formula C21H28BrNO2
InChI InChI=1S/C21H28BrNO2/c1-21(2,3)18-13-19(24-4)16(12-20(18)25-5)9-10-23-14-15-7-6-8-17(22)11-15/h6-8,11-13,23H,9-10,14H2,1-5H3
InChIKey FPZWRNOSRTZVSP-UHFFFAOYSA-N
Molecular Weight 406.364 g/mol
SMILES C1(=C(C(C)(C)C)C=C(C(=C1)CCNCC=1C=C(C=CC1)Br)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.882969