| SpectraBase Compound ID | 1m5wIFhC3VF |
|---|---|
| InChI | InChI=1S/C12H24O2/c1-9(2)11(13)14-8-10(3)7-12(4,5)6/h9-10H,7-8H2,1-6H3 |
| InChIKey | ICZOLLWUAZKBSI-UHFFFAOYSA-N |
| Mol Weight | 200.32 g/mol |
| Molecular Formula | C12H24O2 |
| Exact Mass | 200.17763 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9Pm2akejGfA |
|---|---|
| Name | 2,4,4-Trimethyl-1-pentanol, 2-methylpropionate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.177630011 u |
| Formula | C12H24O2 |
| InChI | InChI=1S/C12H24O2/c1-9(2)11(13)14-8-10(3)7-12(4,5)6/h9-10H,7-8H2,1-6H3 |
| InChIKey | ICZOLLWUAZKBSI-UHFFFAOYSA-N |
| Molecular Weight | 200.322 g/mol |
| SMILES | CC(CC(COC(C(C)C)=O)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.993403 |