| SpectraBase Compound ID | 2EtMIDK6dzL |
|---|---|
| InChI | InChI=1S/C15H28O4/c1-5-6-7-8-11-18-13(16)9-10-14(17)19-12-15(2,3)4/h5-12H2,1-4H3 |
| InChIKey | MBUNHYVDHBITTA-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 | kMGVkhuO4H |
|---|---|
| Name | Succinic acid, hexyl neopentyl ester |
| 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/c1-5-6-7-8-11-18-13(16)9-10-14(17)19-12-15(2,3)4/h5-12H2,1-4H3 |
| InChIKey | MBUNHYVDHBITTA-UHFFFAOYSA-N |
| SMILES | C(OCC(C)(C)C)(=O)CCC(OCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.807149 |