| SpectraBase Compound ID | FT2Am5d48FI |
|---|---|
| InChI | InChI=1S/C15H13BrO2/c1-10-8-13(16)14(9-11(10)2)18-15(17)12-6-4-3-5-7-12/h3-9H,1-2H3 |
| InChIKey | NPWKAZNJCDMDLD-UHFFFAOYSA-N |
| Mol Weight | 305.17 g/mol |
| Molecular Formula | C15H13BrO2 |
| Exact Mass | 304.009893 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | DPGaIdVkukY |
|---|---|
| Name | 6-Bromo-3,4-xylenol, benzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.009892657 u |
| Formula | C15H13BrO2 |
| InChI | InChI=1S/C15H13BrO2/c1-10-8-13(16)14(9-11(10)2)18-15(17)12-6-4-3-5-7-12/h3-9H,1-2H3 |
| InChIKey | NPWKAZNJCDMDLD-UHFFFAOYSA-N |
| Molecular Weight | 305.171 g/mol |
| SMILES | C1=C(C(=CC(=C1C)C)OC(C=1C=CC=CC1)=O)Br |
| Spectrum/Structure Validation Score (Raman) | 0.839689 |