| SpectraBase Spectrum ID |
GXYaRg5HtWe |
| Name |
Benzamide, 2-bromo-N-ethyl-N-propyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
269.041527138 u |
| Formula |
C12H16BrNO |
| InChI |
InChI=1S/C12H16BrNO/c1-3-9-14(4-2)12(15)10-7-5-6-8-11(10)13/h5-8H,3-4,9H2,1-2H3 |
| InChIKey |
BMRXZVFZTFOTLI-UHFFFAOYSA-N |
| Molecular Weight |
270.170 g/mol |
| SMILES |
C1=C(C(=CC=C1)C(N(CC)CCC)=O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870061 |
