| SpectraBase Compound ID | 9fSN6l4SnoN |
|---|---|
| InChI | InChI=1S/C10H18O4/c1-7(9(11)13-3)5-6-8(2)10(12)14-4/h7-8H,5-6H2,1-4H3 |
| InChIKey | LHJHRVVZHAHRCZ-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 | 9FZo3NdYkds |
|---|---|
| Name | 2,5-Dimethylhexanedioic acid, dimethyl 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/c1-7(9(11)13-3)5-6-8(2)10(12)14-4/h7-8H,5-6H2,1-4H3 |
| InChIKey | LHJHRVVZHAHRCZ-UHFFFAOYSA-N |
| Molecular Weight | 202.250 g/mol |
| SMILES | COC(C(CCC(C(OC)=O)C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.961099 |