| SpectraBase Compound ID | IaK8DNX72nz |
|---|---|
| InChI | InChI=1S/C7H11Br/c1-2-3-4-5-6-7-8/h4-7H2,1H3 |
| InChIKey | HBCUNRJLNZJDFT-UHFFFAOYSA-N |
| Mol Weight | 175.07 g/mol |
| Molecular Formula | C7H11Br |
| Exact Mass | 174.004413 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5gBf8ePLVa3 |
|---|---|
| Name | 2-Heptyne, 7-bromo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.004413354 u |
| Formula | C7H11Br |
| InChI | InChI=1S/C7H11Br/c1-2-3-4-5-6-7-8/h4-7H2,1H3 |
| InChIKey | HBCUNRJLNZJDFT-UHFFFAOYSA-N |
| Molecular Weight | 175.069 g/mol |
| SMILES | CC#CCCCCBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933875 |