| SpectraBase Compound ID | 9tTt7bZMWQm |
|---|---|
| InChI | InChI=1S/C9H19BrO4/c1-11-4-5-13-8-9-14-7-6-12-3-2-10/h2-9H2,1H3 |
| InChIKey | YFFFQGXWMHAJPP-UHFFFAOYSA-N |
| Mol Weight | 271.15 g/mol |
| Molecular Formula | C9H19BrO4 |
| Exact Mass | 270.046672 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | E8V73K3xLHc |
|---|---|
| Name | 2,5,8,11-Tetraoxatridecane, 13-bromo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.046672088 u |
| Formula | C9H19BrO4 |
| InChI | InChI=1S/C9H19BrO4/c1-11-4-5-13-8-9-14-7-6-12-3-2-10/h2-9H2,1H3 |
| InChIKey | YFFFQGXWMHAJPP-UHFFFAOYSA-N |
| Molecular Weight | 271.151 g/mol |
| SMILES | COCCOCCOCCOCCBr |
| Spectrum/Structure Validation Score (Raman) | 0.992628 |