| SpectraBase Compound ID | JRXOgMHw1bJ |
|---|---|
| InChI | InChI=1S/C14H21BrO2/c15-11-6-4-2-1-3-5-8-12-9-7-10-13(16)14(12)17/h7,9-10,16-17H,1-6,8,11H2 |
| InChIKey | VREYLPLKCUMUNL-UHFFFAOYSA-N |
| Mol Weight | 301.22 g/mol |
| Molecular Formula | C14H21BrO2 |
| Exact Mass | 300.072493 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1Grl3OYg1K1 |
|---|---|
| Name | 3-(8-Bromooctyl)catechol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.072492914 u |
| Formula | C14H21BrO2 |
| InChI | InChI=1S/C14H21BrO2/c15-11-6-4-2-1-3-5-8-12-9-7-10-13(16)14(12)17/h7,9-10,16-17H,1-6,8,11H2 |
| InChIKey | VREYLPLKCUMUNL-UHFFFAOYSA-N |
| Molecular Weight | 301.224 g/mol |
| SMILES | C=1(C(O)=CC=CC1CCCCCCCCBr)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.880557 |