| SpectraBase Compound ID | Cmzz86fHmdu |
|---|---|
| InChI | InChI=1S/C15H15BrO/c16-14-9-4-10-15(12-14)17-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10,12H,5,8,11H2 |
| InChIKey | WKYGWDCRBMIXJR-UHFFFAOYSA-N |
| Mol Weight | 291.19 g/mol |
| Molecular Formula | C15H15BrO |
| Exact Mass | 290.030628 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5X2RlGL3gFL |
|---|---|
| Name | 1-Bromo-3-(3-phenylpropoxy)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.030628102 u |
| Formula | C15H15BrO |
| InChI | InChI=1S/C15H15BrO/c16-14-9-4-10-15(12-14)17-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10,12H,5,8,11H2 |
| InChIKey | WKYGWDCRBMIXJR-UHFFFAOYSA-N |
| SMILES | C=1C=CC(=CC1OCCCC1=CC=CC=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.909084 |