| SpectraBase Compound ID | HUHHbh4UnZ8 |
|---|---|
| InChI | InChI=1S/C8H16O2/c1-6(8(3,4)5)10-7(2)9/h6H,1-5H3 |
| InChIKey | MAYGVGMOSXYCRX-UHFFFAOYSA-N |
| Mol Weight | 144.21 g/mol |
| Molecular Formula | C8H16O2 |
| Exact Mass | 144.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2Ed8w80x46f |
|---|---|
| Name | Acetic acid, 3,3-dimethylbut-2-yl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.115029753 u |
| Formula | C8H16O2 |
| InChI | InChI=1S/C8H16O2/c1-6(8(3,4)5)10-7(2)9/h6H,1-5H3 |
| InChIKey | MAYGVGMOSXYCRX-UHFFFAOYSA-N |
| Molecular Weight | 144.214 g/mol |
| SMILES | C(OC(=O)C)(C)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967713 |