| SpectraBase Compound ID | 9JYycnZ7CHD |
|---|---|
| InChI | InChI=1S/C10H6Br2O2/c1-5-2-6-3-7(11)4-8(12)9(6)14-10(5)13/h2-4H,1H3 |
| InChIKey | KTSSQWGWUWRXGJ-UHFFFAOYSA-N |
| Mol Weight | 317.96 g/mol |
| Molecular Formula | C10H6Br2O2 |
| Exact Mass | 315.873455 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2nstcaqs7SU |
|---|---|
| Name | 3-Methyl-6,8-dibromocoumarine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.873455431 u |
| Formula | C10H6Br2O2 |
| InChI | InChI=1S/C10H6Br2O2/c1-5-2-6-3-7(11)4-8(12)9(6)14-10(5)13/h2-4H,1H3 |
| InChIKey | KTSSQWGWUWRXGJ-UHFFFAOYSA-N |
| Molecular Weight | 317.964 g/mol |
| SMILES | C1(OC=2C(=CC(=CC2C=C1C)Br)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.90012 |