| SpectraBase Compound ID | FML8JAM6enV |
|---|---|
| InChI | InChI=1S/C10H18O4/c1-4-10(8(11)12,9(13)14)6-5-7(2)3/h7H,4-6H2,1-3H3,(H,11,12)(H,13,14) |
| InChIKey | VEAVZBJKWOERHB-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 | 5FlBoLp6yED |
|---|---|
| Name | Ethylisopentylmalonic acid |
| 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/c1-4-10(8(11)12,9(13)14)6-5-7(2)3/h7H,4-6H2,1-3H3,(H,11,12)(H,13,14) |
| InChIKey | VEAVZBJKWOERHB-UHFFFAOYSA-N |
| Molecular Weight | 202.250 g/mol |
| SMILES | OC(C(C(O)=O)(CCC(C)C)CC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.955071 |