| SpectraBase Compound ID | SDgGDLpRHx |
|---|---|
| InChI | InChI=1S/C10H17Br/c1-9(2)4-6-10(3,8-11)7-5-9/h4,6H,5,7-8H2,1-3H3 |
| InChIKey | MQALJQZAMPRTGH-UHFFFAOYSA-N |
| Mol Weight | 217.15 g/mol |
| Molecular Formula | C10H17Br |
| Exact Mass | 216.051364 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | INd74n8NKpF |
|---|---|
| Name | 3-Bromomethyl-3,6,6-trimethyl-cyclohexene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.051363547 u |
| Formula | C10H17Br |
| InChI | InChI=1S/C10H17Br/c1-9(2)4-6-10(3,8-11)7-5-9/h4,6H,5,7-8H2,1-3H3 |
| InChIKey | MQALJQZAMPRTGH-UHFFFAOYSA-N |
| Molecular Weight | 217.150 g/mol |
| SMILES | CC1(CBr)CCC(C=C1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.860862 |