| SpectraBase Compound ID | FpCH7v3jArS |
|---|---|
| InChI | InChI=1S/C10H18O3/c1-3-4-6-9(11)7-5-8-10(12)13-2/h3-8H2,1-2H3 |
| InChIKey | MLEPLOQNUMVGPK-UHFFFAOYSA-N |
| Mol Weight | 186.25 g/mol |
| Molecular Formula | C10H18O3 |
| Exact Mass | 186.125594 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5DXmzia5N6j |
|---|---|
| Name | 5-Oxononanoic acid methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.125594437 u |
| Formula | C10H18O3 |
| InChI | InChI=1S/C10H18O3/c1-3-4-6-9(11)7-5-8-10(12)13-2/h3-8H2,1-2H3 |
| InChIKey | MLEPLOQNUMVGPK-UHFFFAOYSA-N |
| Molecular Weight | 186.251 g/mol |
| SMILES | C(=O)(OC)CCCC(=O)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979516 |