| SpectraBase Compound ID | EVSQbOvdQHC |
|---|---|
| InChI | InChI=1S/C6H13BrO/c1-4-5(7)6(2,3)8/h5,8H,4H2,1-3H3 |
| InChIKey | FJXROANDVZVKMO-UHFFFAOYSA-N |
| Mol Weight | 181.07 g/mol |
| Molecular Formula | C6H13BrO |
| Exact Mass | 180.014978 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Br5WUPvyyeA |
|---|---|
| Name | 3-Bromo-2-methyl-2-pentanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.014978038 u |
| Formula | C6H13BrO |
| InChI | InChI=1S/C6H13BrO/c1-4-5(7)6(2,3)8/h5,8H,4H2,1-3H3 |
| InChIKey | FJXROANDVZVKMO-UHFFFAOYSA-N |
| Molecular Weight | 181.073 g/mol |
| SMILES | CC(C(CC)Br)(O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973361 |