| SpectraBase Spectrum ID |
JekVir7GJEs |
| Name |
3-Bromanyl-8-methyl-5-(4-methylphenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.057177203 u |
| Formula |
C18H18BrNO |
| InChI |
InChI=1S/C18H18BrNO/c1-11-3-6-13(7-4-11)15-10-16(19)18(21)20-17-9-12(2)5-8-14(15)17/h3-9,15-16H,10H2,1-2H3,(H,20,21) |
| InChIKey |
ZNYYNQPHEUOUTR-UHFFFAOYSA-N |
| Molecular Weight |
344.252 g/mol |
| SMILES |
C=12NC(C(CC(C2=CC=C(C1)C)C=1C=CC(=CC1)C)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940156 |
