| SpectraBase Compound ID | 1KsYA4HdH6U |
|---|---|
| InChI | InChI=1S/C7H13Br/c1-6(2)4-7(3)5-8/h5-6H,4H2,1-3H3/b7-5+ |
| InChIKey | RJVBZBPBVHTIMF-FNORWQNLSA-N |
| Mol Weight | 177.08 g/mol |
| Molecular Formula | C7H13Br |
| Exact Mass | 176.020063 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AMUH29JG0nq |
|---|---|
| Name | 1-Pentene, 1-bromo-2,4-dimethyl-, (E)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.020063419 u |
| Formula | C7H13Br |
| InChI | InChI=1S/C7H13Br/c1-6(2)4-7(3)5-8/h5-6H,4H2,1-3H3/b7-5+ |
| InChIKey | RJVBZBPBVHTIMF-FNORWQNLSA-N |
| Molecular Weight | 177.085 g/mol |
| SMILES | C(\C(=C\Br)C)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947411 |