| SpectraBase Compound ID | ZrtY8IV00M |
|---|---|
| InChI | InChI=1S/C10H13BrO/c1-2-3-8-12-10-7-5-4-6-9(10)11/h4-7H,2-3,8H2,1H3 |
| InChIKey | HFEFLNNDSLOUEM-UHFFFAOYSA-N |
| Mol Weight | 229.12 g/mol |
| Molecular Formula | C10H13BrO |
| Exact Mass | 228.014978 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1CL164IKJra |
|---|---|
| Name | 1-Bromo-2-butoxybenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.014978038 u |
| Formula | C10H13BrO |
| InChI | InChI=1S/C10H13BrO/c1-2-3-8-12-10-7-5-4-6-9(10)11/h4-7H,2-3,8H2,1H3 |
| InChIKey | HFEFLNNDSLOUEM-UHFFFAOYSA-N |
| Molecular Weight | 229.117 g/mol |
| SMILES | C1(=C(OCCCC)C=CC=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965405 |