| SpectraBase Compound ID | 36RtTakLap0 |
|---|---|
| InChI | InChI=1S/C13H17BrO/c1-2-3-5-10-12(14)13(15)11-8-6-4-7-9-11/h4,6-9,12H,2-3,5,10H2,1H3 |
| InChIKey | SLTFKUDVTFWTKW-UHFFFAOYSA-N |
| Mol Weight | 269.18 g/mol |
| Molecular Formula | C13H17BrO |
| Exact Mass | 268.046278 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3krhNtiBHQV |
|---|---|
| Name | alpha-Bromo-heptanophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.046278166 u |
| Formula | C13H17BrO |
| InChI | InChI=1S/C13H17BrO/c1-2-3-5-10-12(14)13(15)11-8-6-4-7-9-11/h4,6-9,12H,2-3,5,10H2,1H3 |
| InChIKey | SLTFKUDVTFWTKW-UHFFFAOYSA-N |
| Molecular Weight | 269.182 g/mol |
| SMILES | C(C1=CC=CC=C1)(C(CCCCC)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972152 |