| SpectraBase Compound ID | 5uWftjPy7C1 |
|---|---|
| InChI | InChI=1S/C11H17Br/c1-11(2)7-6-10(9-11)5-3-4-8-12/h6-7,9H,3-5,8H2,1-2H3 |
| InChIKey | UUELMUJSKDEBFA-UHFFFAOYSA-N |
| Mol Weight | 229.16 g/mol |
| Molecular Formula | C11H17Br |
| Exact Mass | 228.051364 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EvbZsYBq80c |
|---|---|
| Name | 1,3-Cyclopentadiene, 2-(4-bromobutyl)-5,5-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.051363547 u |
| Formula | C11H17Br |
| InChI | InChI=1S/C11H17Br/c1-11(2)7-6-10(9-11)5-3-4-8-12/h6-7,9H,3-5,8H2,1-2H3 |
| InChIKey | UUELMUJSKDEBFA-UHFFFAOYSA-N |
| Molecular Weight | 229.161 g/mol |
| SMILES | CC1(C)C=C(CCCCBr)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917227 |