| SpectraBase Compound ID | 5Y3dzhrVYbE |
|---|---|
| InChI | InChI=1S/C17H30O5/c18-15(11-7-3-1-5-9-13-16(19)20)12-8-4-2-6-10-14-17(21)22/h1-14H2,(H,19,20)(H,21,22) |
| InChIKey | PIDPYYAWBYNTFO-UHFFFAOYSA-N |
| Mol Weight | 314.42 g/mol |
| Molecular Formula | C17H30O5 |
| Exact Mass | 314.209324 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 276teusUlst |
|---|---|
| Name | 9-oxo-1,17-Heptadecanedioic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.209324061 u |
| Formula | C17H30O5 |
| InChI | InChI=1S/C17H30O5/c18-15(11-7-3-1-5-9-13-16(19)20)12-8-4-2-6-10-14-17(21)22/h1-14H2,(H,19,20)(H,21,22) |
| InChIKey | PIDPYYAWBYNTFO-UHFFFAOYSA-N |
| SMILES | C(CCCCCCCC(CCCCCCCC(=O)O)=O)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95567 |