| SpectraBase Compound ID | 1TmhKXrf0kY |
|---|---|
| InChI | InChI=1S/C8H9BrO/c1-6-3-4-7(9)8(5-6)10-2/h3-5H,1-2H3 |
| InChIKey | OERVAQHUJAFULZ-UHFFFAOYSA-N |
| Mol Weight | 201.06 g/mol |
| Molecular Formula | C8H9BrO |
| Exact Mass | 199.983678 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9vEs6lGqAwX |
|---|---|
| Name | 1-Bromanyl-2-methoxy-4-methyl-benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.983677909 u |
| Formula | C8H9BrO |
| InChI | InChI=1S/C8H9BrO/c1-6-3-4-7(9)8(5-6)10-2/h3-5H,1-2H3 |
| InChIKey | OERVAQHUJAFULZ-UHFFFAOYSA-N |
| Molecular Weight | 201.063 g/mol |
| SMILES | C=1(C(=CC=C(C1)C)Br)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941892 |