| SpectraBase Compound ID | DLxjb7Z7gwa |
|---|---|
| InChI | InChI=1S/C14H28O2/c1-11(2)7-8-16-13(15)9-12(3)10-14(4,5)6/h11-12H,7-10H2,1-6H3 |
| InChIKey | IXHGVSKMQLKBKI-UHFFFAOYSA-N |
| Mol Weight | 228.38 g/mol |
| Molecular Formula | C14H28O2 |
| Exact Mass | 228.20893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IIIDquBoRXG |
|---|---|
| Name | Isopentyl 3,5,5-trimethylhexanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.208930140 u |
| Formula | C14H28O2 |
| InChI | InChI=1S/C14H28O2/c1-11(2)7-8-16-13(15)9-12(3)10-14(4,5)6/h11-12H,7-10H2,1-6H3 |
| InChIKey | IXHGVSKMQLKBKI-UHFFFAOYSA-N |
| Molecular Weight | 228.376 g/mol |
| SMILES | C(CC(CC(C)(C)C)C)(=O)OCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94745 |