| SpectraBase Compound ID | 3wN4b9OR89Q |
|---|---|
| InChI | InChI=1S/C7H12O2/c1-4-3-5(2)6(4)7(8)9/h4-6H,3H2,1-2H3,(H,8,9)/t4-,5+,6+ |
| InChIKey | SVZPBNNIXYMEPB-FMCRUOTFSA-N |
| Mol Weight | 128.17 g/mol |
| Molecular Formula | C7H12O2 |
| Exact Mass | 128.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7qrlVeoMVr7 |
|---|---|
| Name | (2R,4S)-2,4-Dimethylcyclobutanecarboxylic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.083729624 u |
| Formula | C7H12O2 |
| InChI | InChI=1S/C7H12O2/c1-4-3-5(2)6(4)7(8)9/h4-6H,3H2,1-2H3,(H,8,9)/t4-,5+,6+ |
| InChIKey | SVZPBNNIXYMEPB-FMCRUOTFSA-N |
| SMILES | [C@]1([C@](C(=O)O)([C@](C1)(C)[H])[H])(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950323 |