| SpectraBase Compound ID | 8LyaxhBD3sV |
|---|---|
| InChI | InChI=1S/C10H18O4/c1-4-13-9(11)6-8(3)7-10(12)14-5-2/h8H,4-7H2,1-3H3 |
| InChIKey | SEWQUYBTRMDUQS-UHFFFAOYSA-N |
| Mol Weight | 202.25 g/mol |
| Molecular Formula | C10H18O4 |
| Exact Mass | 202.120509 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3CfCgkNqnHV |
|---|---|
| Name | 3-Methylglutaric acid, diethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.120509056 u |
| Formula | C10H18O4 |
| InChI | InChI=1S/C10H18O4/c1-4-13-9(11)6-8(3)7-10(12)14-5-2/h8H,4-7H2,1-3H3 |
| InChIKey | SEWQUYBTRMDUQS-UHFFFAOYSA-N |
| Molecular Weight | 202.250 g/mol |
| SMILES | CCOC(CC(CC(OCC)=O)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.941499 |