| SpectraBase Spectrum ID |
2ZGJJka1DEB |
| Name |
N-(4-Bromo-2-fluorophenyl)-2-phenylbutanamide, me derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
349.047755333 u |
| Formula |
C17H17BrFNO |
| InChI |
InChI=1S/C17H17BrFNO/c1-3-14(12-7-5-4-6-8-12)17(21)20(2)16-10-9-13(18)11-15(16)19/h4-11,14H,3H2,1-2H3 |
| InChIKey |
BFRNOXFLHQPGAR-UHFFFAOYSA-N |
| Molecular Weight |
350.231 g/mol |
| SMILES |
C1(F)=C(C=CC(=C1)Br)N(C(=O)C(CC)C1=CC=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927936 |
