| SpectraBase Compound ID | 4SDXo6oIqO1 |
|---|---|
| InChI | InChI=1S/C12H17BrO/c1-11-5-7-12(8-6-11)14-10-4-2-3-9-13/h5-8H,2-4,9-10H2,1H3 |
| InChIKey | LHYNMTUJSGGSRK-UHFFFAOYSA-N |
| Mol Weight | 257.17 g/mol |
| Molecular Formula | C12H17BrO |
| Exact Mass | 256.046278 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 | 7ZXlT3JZBEv |
|---|---|
| Name | 1-(5-Bromanylpentoxy)-4-methyl-benzene |
| 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/c1-11-5-7-12(8-6-11)14-10-4-2-3-9-13/h5-8H,2-4,9-10H2,1H3 |
| InChIKey | LHYNMTUJSGGSRK-UHFFFAOYSA-N |
| Molecular Weight | 257.171 g/mol |
| SMILES | C=1(C=CC(=CC1)C)OCCCCCBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929516 |