| SpectraBase Compound ID | JzIK6VBwSOG |
|---|---|
| InChI | InChI=1S/C7H7BrO2/c1-3-4(2)7(10)5(8)6(3)9/h5H,1-2H3 |
| InChIKey | LDVQHHTYFOLKTR-UHFFFAOYSA-N |
| Mol Weight | 203.03 g/mol |
| Molecular Formula | C7H7BrO2 |
| Exact Mass | 201.962942 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BVsQGZleltZ |
|---|---|
| Name | 4-Cyclopentene-1,3-dione, 2-bromo-4,5-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.962942463 u |
| Formula | C7H7BrO2 |
| InChI | InChI=1S/C7H7BrO2/c1-3-4(2)7(10)5(8)6(3)9/h5H,1-2H3 |
| InChIKey | LDVQHHTYFOLKTR-UHFFFAOYSA-N |
| Molecular Weight | 203.035 g/mol |
| SMILES | C1(Br)C(=O)C(=C(C1=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.850613 |