| SpectraBase Compound ID | L44FfxGkjEJ |
|---|---|
| InChI | InChI=1S/C7H10O3/c1-7(2)3-5(4-10-7)6(8)9/h4H,3H2,1-2H3,(H,8,9) |
| InChIKey | GFQCLWZEFBIYFZ-UHFFFAOYSA-N |
| Mol Weight | 142.15 g/mol |
| Molecular Formula | C7H10O3 |
| Exact Mass | 142.062994 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KKnqUL8Him2 |
|---|---|
| Name | 4,5-Dihydro-5,5-dimethyl-3-furoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.062994179 u |
| Formula | C7H10O3 |
| InChI | InChI=1S/C7H10O3/c1-7(2)3-5(4-10-7)6(8)9/h4H,3H2,1-2H3,(H,8,9) |
| InChIKey | GFQCLWZEFBIYFZ-UHFFFAOYSA-N |
| Molecular Weight | 142.154 g/mol |
| SMILES | OC(C1=COC(C1)(C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.799062 |