| SpectraBase Compound ID | HBctqyuedbu |
|---|---|
| InChI | InChI=1S/C8H12O2/c1-6-4-7(9)10-8(2,3)5-6/h5H,4H2,1-3H3 |
| InChIKey | NHUXODGJQOPQHG-UHFFFAOYSA-N |
| Mol Weight | 140.18 g/mol |
| Molecular Formula | C8H12O2 |
| Exact Mass | 140.08373 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | ECNjd4Ts6GO |
|---|---|
| Name | 3,6-Dihydro-4,6,6-trimethyl-2H-pyran-2-one |
| 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)10-8(2,3)5-6/h5H,4H2,1-3H3 |
| InChIKey | NHUXODGJQOPQHG-UHFFFAOYSA-N |
| SMILES | C1C(OC(C=C1C)(C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.95037 |