| SpectraBase Compound ID | 3g01RtVWneI |
|---|---|
| InChI | InChI=1S/C8H16O4/c1-10-7(9)5-4-6-8(11-2)12-3/h8H,4-6H2,1-3H3 |
| InChIKey | YOFAONQHOIRLCQ-UHFFFAOYSA-N |
| Mol Weight | 176.21 g/mol |
| Molecular Formula | C8H16O4 |
| Exact Mass | 176.104859 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BLMJmMaO3dF |
|---|---|
| Name | Methyl 5,5-dimethoxyvalerate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.104858991 u |
| Formula | C8H16O4 |
| InChI | InChI=1S/C8H16O4/c1-10-7(9)5-4-6-8(11-2)12-3/h8H,4-6H2,1-3H3 |
| InChIKey | YOFAONQHOIRLCQ-UHFFFAOYSA-N |
| Molecular Weight | 176.212 g/mol |
| SMILES | COC(CCCC(=O)OC)OC |
| Spectrum/Structure Validation Score (Raman) | 0.923866 |