| SpectraBase Compound ID | 9kIs6byaajp |
|---|---|
| InChI | InChI=1S/C12H17BrO/c1-12(2,3)9-14-8-10-4-6-11(13)7-5-10/h4-7H,8-9H2,1-3H3 |
| InChIKey | ZJOMBMYGWUMGRH-UHFFFAOYSA-N |
| Mol Weight | 257.17 g/mol |
| Molecular Formula | C12H17BrO |
| Exact Mass | 256.046278 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EaJ0NGSKcwp |
|---|---|
| Name | 4-Bromobenzyl alcohol, neopentyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.046278166 u |
| Formula | C12H17BrO |
| InChI | InChI=1S/C12H17BrO/c1-12(2,3)9-14-8-10-4-6-11(13)7-5-10/h4-7H,8-9H2,1-3H3 |
| InChIKey | ZJOMBMYGWUMGRH-UHFFFAOYSA-N |
| Molecular Weight | 257.171 g/mol |
| SMILES | C1=CC(=CC=C1COCC(C)(C)C)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946321 |