| SpectraBase Spectrum ID |
3gGsVo0h4IW |
| Name |
3-Benzyl-5-(2-bromoethyl)-3,4-diazatricyclo[5.2.1.0(2,6)]dec-4-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.088811684 u |
| Formula |
C17H21BrN2 |
| InChI |
InChI=1S/C17H21BrN2/c18-9-8-15-16-13-6-7-14(10-13)17(16)20(19-15)11-12-4-2-1-3-5-12/h1-5,13-14,16-17H,6-11H2 |
| InChIKey |
HWBOSSBVLLGFBH-UHFFFAOYSA-N |
| Molecular Weight |
333.273 g/mol |
| SMILES |
C1(=NN(C2C1C1CC2CC1)CC=1C=CC=CC1)CCBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889362 |
![3-Benzyl-5-(2-bromoethyl)-3,4-diazatricyclo[5.2.1.0(2,6)]dec-4-ene](/api/spectrum/3gGsVo0h4IW/structure.png?h=300&w=458 "3-Benzyl-5-(2-bromoethyl)-3,4-diazatricyclo[5.2.1.0(2,6)]dec-4-ene")
