| SpectraBase Compound ID | 6ocX8TQRtGT |
|---|---|
| InChI | InChI=1S/C12H15BrO/c1-12(2,8-9-13)11(14)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3 |
| InChIKey | JFYVHZUNHFWSKM-UHFFFAOYSA-N |
| Mol Weight | 255.15 g/mol |
| Molecular Formula | C12H15BrO |
| Exact Mass | 254.030628 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9FzQDDlJCxX |
|---|---|
| Name | 4-(Bromomethyl)pivalophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.030628102 u |
| Formula | C12H15BrO |
| InChI | InChI=1S/C12H15BrO/c1-12(2,8-9-13)11(14)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3 |
| InChIKey | JFYVHZUNHFWSKM-UHFFFAOYSA-N |
| Molecular Weight | 255.155 g/mol |
| SMILES | C(C(CCBr)(C)C)(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975395 |