| SpectraBase Compound ID | Ksuyry5rP57 |
|---|---|
| InChI | InChI=1S/C12H13BrO3/c1-8(2)7-16-12-10(13)4-9(6-14)5-11(12)15-3/h4-6H,1,7H2,2-3H3 |
| InChIKey | UZPKBTAPHSEASS-UHFFFAOYSA-N |
| Mol Weight | 285.14 g/mol |
| Molecular Formula | C12H13BrO3 |
| Exact Mass | 284.004807 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7ynSctOV6jh |
|---|---|
| Name | Benzaldehyde, 3-bromo-5-methoxy-4-(2-methyl-2-propenyloxy)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.004807276 u |
| Formula | C12H13BrO3 |
| InChI | InChI=1S/C12H13BrO3/c1-8(2)7-16-12-10(13)4-9(6-14)5-11(12)15-3/h4-6H,1,7H2,2-3H3 |
| InChIKey | UZPKBTAPHSEASS-UHFFFAOYSA-N |
| SMILES | C1(=C(C=C(C=C1OC)C=O)Br)OCC(=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945676 |