| SpectraBase Compound ID | 8Q6hFDMkytv |
|---|---|
| InChI | InChI=1S/C8H8O3/c1-5-2-6(4-9)8(11)7(10)3-5/h2-3,9H,4H2,1H3 |
| InChIKey | GRYYIFCQGAMFCN-UHFFFAOYSA-N |
| Mol Weight | 152.15 g/mol |
| Molecular Formula | C8H8O3 |
| Exact Mass | 152.047344 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Y7PmueKr1u |
|---|---|
| Name | 3,5-Cyclohexadiene-1,2-dione, 3-(hydroxymethyl)-5-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.047344115 u |
| Formula | C8H8O3 |
| InChI | InChI=1S/C8H8O3/c1-5-2-6(4-9)8(11)7(10)3-5/h2-3,9H,4H2,1H3 |
| InChIKey | GRYYIFCQGAMFCN-UHFFFAOYSA-N |
| Molecular Weight | 152.149 g/mol |
| SMILES | C=1(C(C(=O)C=C(C1)C)=O)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931238 |