SpectraBase Spectrum ID |
40ZNvSYluuq |
Name |
(4-Bromphenyl)-.beta.-morpholino-vinylketone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
295.020791693 u |
Formula |
C13H14BrNO2 |
InChI |
InChI=1S/C13H14BrNO2/c14-12-3-1-11(2-4-12)13(16)5-6-15-7-9-17-10-8-15/h1-6H,7-10H2/b6-5+ |
InChIKey |
YIKYTGQGOSEFFC-AATRIKPKSA-N |
Molecular Weight |
296.164 g/mol |
SMILES |
C1(=CC=C(C=C1)Br)C(=O)\C=C\N1CCOCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940188 |