| SpectraBase Compound ID | CJgz2o29umT |
|---|---|
| InChI | InChI=1S/C8H13Br2ClO/c9-5-1-2-8(12)4-3-7(10)6-11/h7H,1-6H2 |
| InChIKey | VVKHLOSCOBMYEZ-UHFFFAOYSA-N |
| Mol Weight | 320.45 g/mol |
| Molecular Formula | C8H13Br2ClO |
| Exact Mass | 317.902169 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Gy6nl2wamjr |
|---|---|
| Name | 1,7-Dibromo-8-chlorooctan-4-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.902168738 u |
| Formula | C8H13Br2ClO |
| InChI | InChI=1S/C8H13Br2ClO/c9-5-1-2-8(12)4-3-7(10)6-11/h7H,1-6H2 |
| InChIKey | VVKHLOSCOBMYEZ-UHFFFAOYSA-N |
| Molecular Weight | 320.452 g/mol |
| SMILES | C(CCC(CCC(CCl)Br)=O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.842122 |