| SpectraBase Compound ID | JAcPRxpNu3c |
|---|---|
| InChI | InChI=1S/C9H16O4/c1-9(2,5-7(10)12-3)6-8(11)13-4/h5-6H2,1-4H3 |
| InChIKey | NPEAPWIQJBAJIO-UHFFFAOYSA-N |
| Mol Weight | 188.22 g/mol |
| Molecular Formula | C9H16O4 |
| Exact Mass | 188.104859 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | D7zQkSyM94P |
|---|---|
| Name | 3,3-Dimethylglutaric acid, dimethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.104858991 u |
| Formula | C9H16O4 |
| InChI | InChI=1S/C9H16O4/c1-9(2,5-7(10)12-3)6-8(11)13-4/h5-6H2,1-4H3 |
| InChIKey | NPEAPWIQJBAJIO-UHFFFAOYSA-N |
| Molecular Weight | 188.223 g/mol |
| SMILES | COC(CC(C)(C)CC(OC)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.986278 |