| SpectraBase Compound ID | ISxOIdyEUUs |
|---|---|
| InChI | InChI=1S/C10H18O4/c1-3-5-6-7-14-10(12)8-9(11)13-4-2/h3-8H2,1-2H3 |
| InChIKey | ZFUBHFRWNCJIKU-UHFFFAOYSA-N |
| Mol Weight | 202.25 g/mol |
| Molecular Formula | C10H18O4 |
| Exact Mass | 202.120509 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BlE0AIRDdgT |
|---|---|
| Name | Ethyl pentyl ester of malonic 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/c1-3-5-6-7-14-10(12)8-9(11)13-4-2/h3-8H2,1-2H3 |
| InChIKey | ZFUBHFRWNCJIKU-UHFFFAOYSA-N |
| Molecular Weight | 202.250 g/mol |
| SMILES | C(C(=O)OCCCCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.880735 |