| SpectraBase Compound ID | 6RdNP9Mx02w |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-6-10-11-12-13-15(5)22-17(20)18(8-3,9-4)16(19)21-14-7-2/h15H,6-14H2,1-5H3 |
| InChIKey | WDFQHCRWDQHKLQ-UHFFFAOYSA-N |
| Mol Weight | 314.5 g/mol |
| Molecular Formula | C18H34O4 |
| Exact Mass | 314.24571 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4Oj1PGdBcNP |
|---|---|
| Name | Diethylmalonic acid, 2-octyl propyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.245709571 u |
| Formula | C18H34O4 |
| InChI | InChI=1S/C18H34O4/c1-6-10-11-12-13-15(5)22-17(20)18(8-3,9-4)16(19)21-14-7-2/h15H,6-14H2,1-5H3 |
| InChIKey | WDFQHCRWDQHKLQ-UHFFFAOYSA-N |
| SMILES | CCC(C(OCCC)=O)(C(OC(C)CCCCCC)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.925994 |