| SpectraBase Compound ID | Ey8mCLhHMoa |
|---|---|
| InChI | InChI=1S/C12H17BrO/c1-11(9-13)7-8-14-10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3 |
| InChIKey | JBUXPZQPAZDINP-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 | 5YoPOD2yB3y |
|---|---|
| Name | (4-Bromanyl-3-methyl-butoxy)methylbenzene |
| 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/c1-11(9-13)7-8-14-10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3 |
| InChIKey | JBUXPZQPAZDINP-UHFFFAOYSA-N |
| Molecular Weight | 257.171 g/mol |
| SMILES | C(OCCC(CBr)C)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.911527 |