| SpectraBase Spectrum ID |
49EaTwhpGYw |
| Name |
Doip N-(3-bromobenzyl) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
405.130342144 u |
| Formula |
C21H28BrNO2 |
| InChI |
InChI=1S/C21H28BrNO2/c1-14(2)19-12-20(24-4)17(11-21(19)25-5)9-15(3)23-13-16-7-6-8-18(22)10-16/h6-8,10-12,14-15,23H,9,13H2,1-5H3 |
| InChIKey |
YBBGQEGHCYDFOS-UHFFFAOYSA-N |
| Molecular Weight |
406.364 g/mol |
| SMILES |
C=1(C(=CC(=C(C1)OC)C(C)C)OC)CC(NCC=1C=C(C=CC1)Br)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901586 |
