| SpectraBase Compound ID | EmN3V4DLSsj |
|---|---|
| InChI | InChI=1S/C15H28O4/c1-12(11-13(2)15(17)19-4)9-7-5-6-8-10-14(16)18-3/h12-13H,5-11H2,1-4H3 |
| InChIKey | VRTQHMMEJUFNPU-UHFFFAOYSA-N |
| Mol Weight | 272.38 g/mol |
| Molecular Formula | C15H28O4 |
| Exact Mass | 272.198759 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5r9m0EhPJnE |
|---|---|
| Name | Dimethyl 2,4-dimethylundecanedioate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.198759378 u |
| Formula | C15H28O4 |
| InChI | InChI=1S/C15H28O4/c1-12(11-13(2)15(17)19-4)9-7-5-6-8-10-14(16)18-3/h12-13H,5-11H2,1-4H3 |
| InChIKey | VRTQHMMEJUFNPU-UHFFFAOYSA-N |
| SMILES | COC(=O)C(CC(C)CCCCCCC(OC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.987974 |