| SpectraBase Compound ID | KpjutLERtBh |
|---|---|
| InChI | InChI=1S/C12H22O4/c1-2-3-4-5-6-7-8-9-10(11(13)14)12(15)16/h10H,2-9H2,1H3,(H,13,14)(H,15,16) |
| InChIKey | FWQNYUYRXNWOOM-UHFFFAOYSA-N |
| Mol Weight | 230.3 g/mol |
| Molecular Formula | C12H22O4 |
| Exact Mass | 230.151809 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KfO4p0PHOru |
|---|---|
| Name | 2-Nonylmalonic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.151809184 u |
| Formula | C12H22O4 |
| InChI | InChI=1S/C12H22O4/c1-2-3-4-5-6-7-8-9-10(11(13)14)12(15)16/h10H,2-9H2,1H3,(H,13,14)(H,15,16) |
| InChIKey | FWQNYUYRXNWOOM-UHFFFAOYSA-N |
| Molecular Weight | 230.304 g/mol |
| SMILES | C(C(=O)O)(C(=O)O)CCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.803593 |