| SpectraBase Compound ID | BrcaF1wMr56 |
|---|---|
| InChI | InChI=1S/C10H11BrO/c1-3-4-8-5-6-10(12-2)9(11)7-8/h3,5-7H,1,4H2,2H3 |
| InChIKey | DGYQHDYIILHYBT-UHFFFAOYSA-N |
| Mol Weight | 227.1 g/mol |
| Molecular Formula | C10H11BrO |
| Exact Mass | 225.999328 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4leqlxZSZAd |
|---|---|
| Name | 2-Bromanyl-1-methoxy-4-prop-2-enyl-benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.999327973 u |
| Formula | C10H11BrO |
| InChI | InChI=1S/C10H11BrO/c1-3-4-8-5-6-10(12-2)9(11)7-8/h3,5-7H,1,4H2,2H3 |
| InChIKey | DGYQHDYIILHYBT-UHFFFAOYSA-N |
| Molecular Weight | 227.101 g/mol |
| SMILES | C=1(C(=CC=C(C1)CC=C)OC)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917999 |