| SpectraBase Compound ID | 5amyRavZfQ0 |
|---|---|
| InChI | InChI=1S/C14H24O6/c1-18-12(15)9-7-5-4-6-8-11(14(17)20-3)10-13(16)19-2/h11H,4-10H2,1-3H3 |
| InChIKey | AILUNLBYBZGLCT-UHFFFAOYSA-N |
| Mol Weight | 288.34 g/mol |
| Molecular Formula | C14H24O6 |
| Exact Mass | 288.157288 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KtCNepT5gNr |
|---|---|
| Name | 1,2,8-Octanetricarboxylic acid, trimethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.157288487 u |
| Formula | C14H24O6 |
| InChI | InChI=1S/C14H24O6/c1-18-12(15)9-7-5-4-6-8-11(14(17)20-3)10-13(16)19-2/h11H,4-10H2,1-3H3 |
| InChIKey | AILUNLBYBZGLCT-UHFFFAOYSA-N |
| SMILES | C(CCCCCCC(OC)=O)(CC(OC)=O)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.850595 |