| SpectraBase Compound ID | I2iH4xvSABj |
|---|---|
| InChI | InChI=1S/C10H17BrO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h7-8H,4-6H2,1-3H3 |
| InChIKey | UJAXXUXPLJRDOH-UHFFFAOYSA-N |
| Mol Weight | 233.15 g/mol |
| Molecular Formula | C10H17BrO |
| Exact Mass | 232.046278 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DArfRMchQvl |
|---|---|
| Name | 2-Bromo-4-tert-butylcyclohexanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.046278166 u |
| Formula | C10H17BrO |
| InChI | InChI=1S/C10H17BrO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h7-8H,4-6H2,1-3H3 |
| InChIKey | UJAXXUXPLJRDOH-UHFFFAOYSA-N |
| Molecular Weight | 233.149 g/mol |
| SMILES | C1(C(CC(CC1)C(C)(C)C)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981527 |