| SpectraBase Compound ID | Gdl3938JCY6 |
|---|---|
| InChI | InChI=1S/C9H20O3/c1-9(2,12-5)7-6-8(10-3)11-4/h8H,6-7H2,1-5H3 |
| InChIKey | HGORYUGKSRPALN-UHFFFAOYSA-N |
| Mol Weight | 176.26 g/mol |
| Molecular Formula | C9H20O3 |
| Exact Mass | 176.141245 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3bw4NBkeORZ |
|---|---|
| Name | Pentane, 1,1,4-trimethoxy-4-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.141244501 u |
| Formula | C9H20O3 |
| InChI | InChI=1S/C9H20O3/c1-9(2,12-5)7-6-8(10-3)11-4/h8H,6-7H2,1-5H3 |
| InChIKey | HGORYUGKSRPALN-UHFFFAOYSA-N |
| Molecular Weight | 176.256 g/mol |
| SMILES | COC(CCC(OC)OC)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.946881 |