SpectraBase Spectrum ID |
DqmF2wsqk9i |
Name |
Benzamide, 2-bromo-N-(2-phenylethyl)-N-decyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
443.182377718 u |
Formula |
C25H34BrNO |
InChI |
InChI=1S/C25H34BrNO/c1-2-3-4-5-6-7-8-14-20-27(21-19-22-15-10-9-11-16-22)25(28)23-17-12-13-18-24(23)26/h9-13,15-18H,2-8,14,19-21H2,1H3 |
InChIKey |
VIHZDRBFPWXDKW-UHFFFAOYSA-N |
Molecular Weight |
444.457 g/mol |
SMILES |
C1=CC=CC(=C1)CCN(C(=O)C=1C(=CC=CC1)Br)CCCCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916778 |