| SpectraBase Compound ID | 5REyi3TAvdw |
|---|---|
| InChI | InChI=1S/C9H14O3/c1-6(10)7-3-4-9(7,2)5-8(11)12/h7H,3-5H2,1-2H3,(H,11,12) |
| InChIKey | GYUMFOVAZBNXNE-UHFFFAOYSA-N |
| Mol Weight | 170.21 g/mol |
| Molecular Formula | C9H14O3 |
| Exact Mass | 170.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | I7ebnhYI9XF |
|---|---|
| Name | 2-(2-Acetyl-1-methyl-cyclobutyl)acetic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.094294308 u |
| Formula | C9H14O3 |
| InChI | InChI=1S/C9H14O3/c1-6(10)7-3-4-9(7,2)5-8(11)12/h7H,3-5H2,1-2H3,(H,11,12) |
| InChIKey | GYUMFOVAZBNXNE-UHFFFAOYSA-N |
| Molecular Weight | 170.208 g/mol |
| SMILES | C1(C(C(=O)C)CC1)(CC(=O)O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95961 |