| SpectraBase Compound ID | 3wwjfzBgSco |
|---|---|
| InChI | InChI=1S/C8H12O2/c1-6-4-7(9)5-8(2,3)10-6/h4H,5H2,1-3H3 |
| InChIKey | ZCHCAGXPCLIZMW-UHFFFAOYSA-N |
| Mol Weight | 140.18 g/mol |
| Molecular Formula | C8H12O2 |
| Exact Mass | 140.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1fjdLmTNcyO |
|---|---|
| Name | 4H-Pyran-4-one, 2,3-dihydro-2,2,6-trimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.083729624 u |
| Formula | C8H12O2 |
| InChI | InChI=1S/C8H12O2/c1-6-4-7(9)5-8(2,3)10-6/h4H,5H2,1-3H3 |
| InChIKey | ZCHCAGXPCLIZMW-UHFFFAOYSA-N |
| SMILES | C1=C(OC(CC1=O)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972212 |