| SpectraBase Compound ID | E4HgGT0NtF7 |
|---|---|
| InChI | InChI=1S/C8H15BrO/c1-7(9)5-3-4-6-8(2)10/h7H,3-6H2,1-2H3 |
| InChIKey | PMMYYCIKHKWDQX-UHFFFAOYSA-N |
| Mol Weight | 207.11 g/mol |
| Molecular Formula | C8H15BrO |
| Exact Mass | 206.030628 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2sWyVVEywTR |
|---|---|
| Name | 7-Bromo-2-octanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.030628102 u |
| Formula | C8H15BrO |
| InChI | InChI=1S/C8H15BrO/c1-7(9)5-3-4-6-8(2)10/h7H,3-6H2,1-2H3 |
| InChIKey | PMMYYCIKHKWDQX-UHFFFAOYSA-N |
| Molecular Weight | 207.111 g/mol |
| SMILES | C(=O)(CCCCC(Br)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.83438 |