SpectraBase Compound ID | B4vt2183mUm |
---|---|
InChI | InChI=1S/C9H8BrNO/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H2,11,12)/b6-3+ |
InChIKey | PFAWHKGYPQXDSK-ZZXKWVIFSA-N |
Mol Weight | 226.07 g/mol |
Molecular Formula | C9H8BrNO |
Exact Mass | 224.978927 g/mol |
SpectraBase Spectrum ID | DLrGReIQneT |
---|---|
Name | 3-(4-Bromophenyl)acrylamide |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 224.978926881 u |
Formula | C9H8BrNO |
InChI | InChI=1S/C9H8BrNO/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H2,11,12)/b6-3+ |
InChIKey | PFAWHKGYPQXDSK-ZZXKWVIFSA-N |
Molecular Weight | 226.073 g/mol |
SMILES | C1=C(C=CC(=C1)\C=C\C(N)=O)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.876287 |