| SpectraBase Spectrum ID |
A7UGJY47keN |
| Name |
2C-tfe N-(3-Bromobenzyl) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
431.070776407 u |
| Formula |
C19H21BrF3NO2 |
| InChI |
InChI=1S/C19H21BrF3NO2/c1-25-17-10-15(11-19(21,22)23)18(26-2)9-14(17)6-7-24-12-13-4-3-5-16(20)8-13/h3-5,8-10,24H,6-7,11-12H2,1-2H3 |
| InChIKey |
SPELZRUTLKHUMR-UHFFFAOYSA-N |
| Molecular Weight |
432.281 g/mol |
| SMILES |
C1(=C(C=C(C(=C1)OC)CCNCC=1C=C(C=CC1)Br)OC)CC(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870307 |
