| SpectraBase Spectrum ID |
9TnmfHuM7gh |
| Name |
2-Bromo-2-nitro-1-phenyl-1-(prenyloxy)ethane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.031356376 u |
| Formula |
C13H16BrNO3 |
| InChI |
InChI=1S/C13H16BrNO3/c1-10(2)8-9-18-12(13(14)15(16)17)11-6-4-3-5-7-11/h3-8,12-13H,9H2,1-2H3 |
| InChIKey |
LCOHSHTXCIBQDZ-UHFFFAOYSA-N |
| Molecular Weight |
314.179 g/mol |
| SMILES |
C(N(=O)=O)(C(C=1C=CC=CC1)OCC=C(C)C)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897053 |
