| SpectraBase Compound ID | 7uvkhmrG0xR |
|---|---|
| InChI | InChI=1S/C10H10BrNO3/c1-14-9-3-6(8(13)5-12)7(11)4-10(9)15-2/h3-4,8,13H,1-2H3 |
| InChIKey | BYMRKBWJIRIFEA-UHFFFAOYSA-N |
| Mol Weight | 272.1 g/mol |
| Molecular Formula | C10H10BrNO3 |
| Exact Mass | 270.984406 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2PxrUh3nHdR |
|---|---|
| Name | Benzoic alcohol, 1-cyano-2'-bromo-4',5'-dimethoxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.984406183 u |
| Formula | C10H10BrNO3 |
| InChI | InChI=1S/C10H10BrNO3/c1-14-9-3-6(8(13)5-12)7(11)4-10(9)15-2/h3-4,8,13H,1-2H3 |
| InChIKey | BYMRKBWJIRIFEA-UHFFFAOYSA-N |
| SMILES | C1(=C(C=C(C(=C1)OC)OC)C(O)C#N)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92316 |