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

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

3-me-4-ma N,N-bis(3-Bromobenzyl)
SpectraBase Compound ID Ixh21wJrT24
InChI InChI=1S/C25H27Br2NO/c1-18-12-20(10-11-25(18)29-3)13-19(2)28(16-21-6-4-8-23(26)14-21)17-22-7-5-9-24(27)15-22/h4-12,14-15,19H,13,16-17H2,1-3H3
InChIKey IQLRNUQVHHHMAW-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 XWUO4tGVMw
Name 3-me-4-ma N,N-bis(3-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/c1-18-12-20(10-11-25(18)29-3)13-19(2)28(16-21-6-4-8-23(26)14-21)17-22-7-5-9-24(27)15-22/h4-12,14-15,19H,13,16-17H2,1-3H3
InChIKey IQLRNUQVHHHMAW-UHFFFAOYSA-N
Molecular Weight 517.305 g/mol
SMILES C(N(CC=1C=C(C=CC1)Br)CC=1C=C(C=CC1)Br)(CC1=CC(=C(C=C1)OC)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.811865