| SpectraBase Compound ID | BnsHPnJZo0Q |
|---|---|
| InChI | InChI=1S/C19H36O4/c1-3-5-7-9-11-13-15-22-18(20)17-19(21)23-16-14-12-10-8-6-4-2/h3-17H2,1-2H3 |
| InChIKey | DTVMXQFQTCJMOR-UHFFFAOYSA-N |
| Mol Weight | 328.5 g/mol |
| Molecular Formula | C19H36O4 |
| Exact Mass | 328.26136 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CeHW0E53BcK |
|---|---|
| Name | Dioctyl malonate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.261359635 u |
| Formula | C19H36O4 |
| InChI | InChI=1S/C19H36O4/c1-3-5-7-9-11-13-15-22-18(20)17-19(21)23-16-14-12-10-8-6-4-2/h3-17H2,1-2H3 |
| InChIKey | DTVMXQFQTCJMOR-UHFFFAOYSA-N |
| Molecular Weight | 328.493 g/mol |
| SMILES | C(OC(=O)CC(=O)OCCCCCCCC)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.88141 |