| SpectraBase Compound ID | 2QK5wtnvfpN |
|---|---|
| InChI | InChI=1S/C10H7BrO/c11-10-3-1-2-7-4-5-8(12)6-9(7)10/h1-6,12H |
| InChIKey | PJRXIIFRDDJZSP-UHFFFAOYSA-N |
| Mol Weight | 223.07 g/mol |
| Molecular Formula | C10H7BrO |
| Exact Mass | 221.968028 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CXcx25GDNTG |
|---|---|
| Name | 2-Naphthol, 8-bromo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.968027844 u |
| Formula | C10H7BrO |
| InChI | InChI=1S/C10H7BrO/c11-10-3-1-2-7-4-5-8(12)6-9(7)10/h1-6,12H |
| InChIKey | PJRXIIFRDDJZSP-UHFFFAOYSA-N |
| Molecular Weight | 223.069 g/mol |
| SMILES | C1=CC=C(C2=C1C=CC(O)=C2)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.800278 |