| SpectraBase Spectrum ID |
20jgZmmQ4Qd |
| Name |
N-(4-Bromanyl-2-methanoyl-phenyl)-N-(phenylmethyl)prop-2-enamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.020791693 u |
| Formula |
C17H14BrNO2 |
| InChI |
InChI=1S/C17H14BrNO2/c1-2-17(21)19(11-13-6-4-3-5-7-13)16-9-8-15(18)10-14(16)12-20/h2-10,12H,1,11H2 |
| InChIKey |
MWBLOXWHXZQHOV-UHFFFAOYSA-N |
| Molecular Weight |
344.208 g/mol |
| SMILES |
C(C=C)(=O)N(C=1C(=CC(=CC1)Br)C=O)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88355 |
