| SpectraBase Compound ID | 1pfZb4zIv8S |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-6-11-12-13-21-16(19)18(9-4,10-5)17(20)22-14-15(7-2)8-3/h15H,6-14H2,1-5H3 |
| InChIKey | GOSHZZKDMYGCEU-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 | 3pqhS1L2mTN |
|---|---|
| Name | Diethylmalonic acid, 2-ethylbutyl pentyl 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/c1-6-11-12-13-21-16(19)18(9-4,10-5)17(20)22-14-15(7-2)8-3/h15H,6-14H2,1-5H3 |
| InChIKey | GOSHZZKDMYGCEU-UHFFFAOYSA-N |
| SMILES | CCC(C(OCCCCC)=O)(C(OCC(CC)CC)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959809 |