| SpectraBase Spectrum ID |
4X5viDTbWUW |
| Name |
Ethyl 2-benzyl-2-(2-bromoallyl)glycinate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.052091822 u |
| Formula |
C14H18BrNO2 |
| InChI |
InChI=1S/C14H18BrNO2/c1-3-18-13(17)14(16,9-11(2)15)10-12-7-5-4-6-8-12/h4-8H,2-3,9-10,16H2,1H3 |
| InChIKey |
VUENFKWJNOELAI-UHFFFAOYSA-N |
| Molecular Weight |
312.207 g/mol |
| SMILES |
C(C(N)(CC(=C)Br)CC=1C=CC=CC1)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.810413 |
