SpectraBase Spectrum ID |
Jd2EveIbaQ1 |
Name |
Acetamide, 2-bromo-N-benzyl-N-nonyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
353.135427525 u |
Formula |
C18H28BrNO |
InChI |
InChI=1S/C18H28BrNO/c1-2-3-4-5-6-7-11-14-20(18(21)15-19)16-17-12-9-8-10-13-17/h8-10,12-13H,2-7,11,14-16H2,1H3 |
InChIKey |
LXPWSGOCARPJRF-UHFFFAOYSA-N |
Molecular Weight |
354.332 g/mol |
SMILES |
C(N(CCCCCCCCC)CC1=CC=CC=C1)(=O)CBr |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.853153 |