| SpectraBase Compound ID | 99m7N3xygRW |
|---|---|
| InChI | InChI=1S/C8H12O3/c1-8(2,3)6-5(9)4-11-7(6)10/h9H,4H2,1-3H3 |
| InChIKey | FCQYJJRHGZWCNZ-UHFFFAOYSA-N |
| Mol Weight | 156.18 g/mol |
| Molecular Formula | C8H12O3 |
| Exact Mass | 156.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JjAkDB8XC7a |
|---|---|
| Name | 2(5H)-Furanone, 3-(1,1-dimethylethyl)-4-hydroxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.078644243 u |
| Formula | C8H12O3 |
| InChI | InChI=1S/C8H12O3/c1-8(2,3)6-5(9)4-11-7(6)10/h9H,4H2,1-3H3 |
| InChIKey | FCQYJJRHGZWCNZ-UHFFFAOYSA-N |
| Molecular Weight | 156.181 g/mol |
| SMILES | C=1(C(OCC1O)=O)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957849 |