| SpectraBase Compound ID | 3X4ViU23M1C |
|---|---|
| InChI | InChI=1S/C13H26O2/c1-6-7-8-15-12(14)9-11(2)10-13(3,4)5/h11H,6-10H2,1-5H3 |
| InChIKey | DCWPYGIRDUULGM-UHFFFAOYSA-N |
| Mol Weight | 214.35 g/mol |
| Molecular Formula | C13H26O2 |
| Exact Mass | 214.19328 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8VttSljYNsQ |
|---|---|
| Name | Hexanoic acid, 3,5,5-trimethyl-, butyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.193280075 u |
| Formula | C13H26O2 |
| InChI | InChI=1S/C13H26O2/c1-6-7-8-15-12(14)9-11(2)10-13(3,4)5/h11H,6-10H2,1-5H3 |
| InChIKey | DCWPYGIRDUULGM-UHFFFAOYSA-N |
| Molecular Weight | 214.349 g/mol |
| SMILES | C(CC(OCCCC)=O)(CC(C)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960812 |