| SpectraBase Compound ID | 79Q2An6YcDI |
|---|---|
| InChI | InChI=1S/C7H13BrO/c1-2-3-4-5-7(8)6-9/h5,9H,2-4,6H2,1H3/b7-5- |
| InChIKey | LRAMUFJXLBKJOI-ALCCZGGFSA-N |
| Mol Weight | 193.08 g/mol |
| Molecular Formula | C7H13BrO |
| Exact Mass | 192.014978 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4AAgsmdRWFY |
|---|---|
| Name | (Z)-2-Bromohept-2-en-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.014978038 u |
| Formula | C7H13BrO |
| InChI | InChI=1S/C7H13BrO/c1-2-3-4-5-7(8)6-9/h5,9H,2-4,6H2,1H3/b7-5- |
| InChIKey | LRAMUFJXLBKJOI-ALCCZGGFSA-N |
| Molecular Weight | 193.084 g/mol |
| SMILES | C(\C=C\(Br)CO)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969786 |