| SpectraBase Compound ID | 6WsRxTCRUjg |
|---|---|
| InChI | InChI=1S/C14H11BrO/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h1-9H,10H2 |
| InChIKey | RYULULVJWLRDQH-UHFFFAOYSA-N |
| Mol Weight | 275.14 g/mol |
| Molecular Formula | C14H11BrO |
| Exact Mass | 273.999328 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LIf487BIAk8 |
|---|---|
| Name | Methanone, [4-(bromomethyl)phenyl]phenyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.999327973 u |
| Formula | C14H11BrO |
| InChI | InChI=1S/C14H11BrO/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h1-9H,10H2 |
| InChIKey | RYULULVJWLRDQH-UHFFFAOYSA-N |
| SMILES | C1=C(C(C2=CC=CC=C2)=O)C=CC(=C1)CBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.903934 |