| SpectraBase Compound ID | 8V4pENypUgk |
|---|---|
| InChI | InChI=1S/C9H18O2/c1-6(2)7(8(10)11)9(3,4)5/h6-7H,1-5H3,(H,10,11) |
| InChIKey | DUWPWJQHLHSXAJ-UHFFFAOYSA-N |
| Mol Weight | 158.24 g/mol |
| Molecular Formula | C9H18O2 |
| Exact Mass | 158.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GEEC7pY7rji |
|---|---|
| Name | T-Butyl-isopropylacetic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.130679818 u |
| Formula | C9H18O2 |
| InChI | InChI=1S/C9H18O2/c1-6(2)7(8(10)11)9(3,4)5/h6-7H,1-5H3,(H,10,11) |
| InChIKey | DUWPWJQHLHSXAJ-UHFFFAOYSA-N |
| Molecular Weight | 158.241 g/mol |
| SMILES | C(C(=O)O)(C(C)C)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.985566 |