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3-me-4-ma N,N-bis(4-Bromobenzyl)

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

3-me-4-ma N,N-bis(4-Bromobenzyl)
SpectraBase Compound ID DqYyV6nb6jC
InChI InChI=1S/C25H27Br2NO/c1-18-14-22(8-13-25(18)29-3)15-19(2)28(16-20-4-9-23(26)10-5-20)17-21-6-11-24(27)12-7-21/h4-14,19H,15-17H2,1-3H3
InChIKey PFQWURQYBSOEJG-UHFFFAOYSA-N
Mol Weight 517.31 g/mol
Molecular Formula C25H27Br2NO
Exact Mass 515.04594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID B1TNfmdwA9C
Name 3-me-4-ma N,N-bis(4-Bromobenzyl)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 515.045940492 u
Formula C25H27Br2NO
InChI InChI=1S/C25H27Br2NO/c1-18-14-22(8-13-25(18)29-3)15-19(2)28(16-20-4-9-23(26)10-5-20)17-21-6-11-24(27)12-7-21/h4-14,19H,15-17H2,1-3H3
InChIKey PFQWURQYBSOEJG-UHFFFAOYSA-N
Molecular Weight 517.305 g/mol
SMILES C(N(CC=1C=CC(=CC1)Br)CC=1C=CC(=CC1)Br)(CC1=CC(=C(C=C1)OC)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.900389