| SpectraBase Compound ID | CZLdqvcemdg |
|---|---|
| InChI | InChI=1S/C11H13BrO/c1-8(2)10(12)11(13)9-6-4-3-5-7-9/h3-8,10H,1-2H3 |
| InChIKey | UCCCJNBTIJWCPF-UHFFFAOYSA-N |
| Mol Weight | 241.13 g/mol |
| Molecular Formula | C11H13BrO |
| Exact Mass | 240.014978 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IpURHHOOyXb |
|---|---|
| Name | .alpha.-Bromoisovalerophenoner |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.014978038 u |
| Formula | C11H13BrO |
| InChI | InChI=1S/C11H13BrO/c1-8(2)10(12)11(13)9-6-4-3-5-7-9/h3-8,10H,1-2H3 |
| InChIKey | UCCCJNBTIJWCPF-UHFFFAOYSA-N |
| Molecular Weight | 241.128 g/mol |
| SMILES | C(C(Br)C(C)C)(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936054 |