| SpectraBase Compound ID | AIuPvmav1L2 |
|---|---|
| InChI | InChI=1S/C10H11BrO3/c11-8-5-10-9(13-6-14-10)4-7(8)2-1-3-12/h4-5,12H,1-3,6H2 |
| InChIKey | BDBXTCATKXNEOX-UHFFFAOYSA-N |
| Mol Weight | 259.1 g/mol |
| Molecular Formula | C10H11BrO3 |
| Exact Mass | 257.989157 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1NgUWXQQQTg |
|---|---|
| Name | 3-(6-Bromo-1,3-benzodioxol-5-yl)propan-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.989157211 u |
| Formula | C10H11BrO3 |
| InChI | InChI=1S/C10H11BrO3/c11-8-5-10-9(13-6-14-10)4-7(8)2-1-3-12/h4-5,12H,1-3,6H2 |
| InChIKey | BDBXTCATKXNEOX-UHFFFAOYSA-N |
| SMILES | C(O)CCC1=CC2=C(C=C1Br)OCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.905098 |