SpectraBase Spectrum ID |
RFxBmEkUBp |
Name |
Benzamide, 3-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 |
415.151077589 u |
Formula |
C23H30BrNO |
InChI |
InChI=1S/C23H30BrNO/c1-2-3-4-5-6-7-11-17-25(19-20-13-9-8-10-14-20)23(26)21-15-12-16-22(24)18-21/h8-10,12-16,18H,2-7,11,17,19H2,1H3 |
InChIKey |
MOMIXYLAUMEFDG-UHFFFAOYSA-N |
Molecular Weight |
416.403 g/mol |
SMILES |
C(N(CCCCCCCCC)CC1=CC=CC=C1)(=O)C=1C=C(C=CC1)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885575 |