| SpectraBase Compound ID | CoU0rXIan59 |
|---|---|
| InChI | InChI=1S/C10H17BrO/c1-3-4-5-6-7-10(8-11)9(2)12/h7H,3-6,8H2,1-2H3/b10-7- |
| InChIKey | ZGGDPKAKUDXSRR-YFHOEESVSA-N |
| Mol Weight | 233.15 g/mol |
| Molecular Formula | C10H17BrO |
| Exact Mass | 232.046278 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7LA90Nfq5N8 |
|---|---|
| Name | 3-Bromomethyl-3-nonen-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.046278166 u |
| Formula | C10H17BrO |
| InChI | InChI=1S/C10H17BrO/c1-3-4-5-6-7-10(8-11)9(2)12/h7H,3-6,8H2,1-2H3/b10-7- |
| InChIKey | ZGGDPKAKUDXSRR-YFHOEESVSA-N |
| Molecular Weight | 233.149 g/mol |
| SMILES | C(\C(=C/CCCCC)CBr)(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966074 |