| SpectraBase Compound ID | 2TzvSpQ0o93 |
|---|---|
| InChI | InChI=1S/C10H16O5/c1-15-10(14)5-3-2-4-8(11)6-7-9(12)13/h2-7H2,1H3,(H,12,13) |
| InChIKey | FTOYRRQSDGSCTQ-UHFFFAOYSA-N |
| Mol Weight | 216.23 g/mol |
| Molecular Formula | C10H16O5 |
| Exact Mass | 216.099774 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GDqJPhPD6vL |
|---|---|
| Name | Nonanedioic acid, 4-oxo-, 9-methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.099773610 u |
| Formula | C10H16O5 |
| InChI | InChI=1S/C10H16O5/c1-15-10(14)5-3-2-4-8(11)6-7-9(12)13/h2-7H2,1H3,(H,12,13) |
| InChIKey | FTOYRRQSDGSCTQ-UHFFFAOYSA-N |
| Molecular Weight | 216.233 g/mol |
| SMILES | C(CCCC(CCC(O)=O)=O)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.839728 |