| SpectraBase Compound ID | AEzsESGF1Yi |
|---|---|
| InChI | InChI=1S/C14H13BrO/c1-9-5-3-7-11(15)13(9)14-10(2)6-4-8-12(14)16/h3-8,16H,1-2H3 |
| InChIKey | LXERUIQEWLRDSA-UHFFFAOYSA-N |
| Mol Weight | 277.16 g/mol |
| Molecular Formula | C14H13BrO |
| Exact Mass | 276.014978 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L2DI4o05J99 |
|---|---|
| Name | 2-(2-Bromanyl-6-methyl-phenyl)-3-methyl-phenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.014978038 u |
| Formula | C14H13BrO |
| InChI | InChI=1S/C14H13BrO/c1-9-5-3-7-11(15)13(9)14-10(2)6-4-8-12(14)16/h3-8,16H,1-2H3 |
| InChIKey | LXERUIQEWLRDSA-UHFFFAOYSA-N |
| SMILES | C=1(C=2C(O)=CC=CC2C)C(Br)=CC=CC1C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.893089 |