![4,7-Dimethyl-5,6,7,7A-tetrahydrocyclopenta[C]pyran-3(1H)-one](/api/spectrum/GyPl4ZHNnFA/structure.png?h=300&w=458 "4,7-Dimethyl-5,6,7,7A-tetrahydrocyclopenta[C]pyran-3(1H)-one")
| SpectraBase Compound ID | JElGymYfNR0 |
|---|---|
| InChI | InChI=1S/C10H14O2/c1-6-3-4-8-7(2)10(11)12-5-9(6)8/h6,9H,3-5H2,1-2H3 |
| InChIKey | PSFRKFUFTXMMCO-UHFFFAOYSA-N |
| Mol Weight | 166.22 g/mol |
| Molecular Formula | C10H14O2 |
| Exact Mass | 166.09938 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GyPl4ZHNnFA |
|---|---|
| Name | 4,7-Dimethyl-5,6,7,7A-tetrahydrocyclopenta[C]pyran-3(1H)-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.099379689 u |
| Formula | C10H14O2 |
| InChI | InChI=1S/C10H14O2/c1-6-3-4-8-7(2)10(11)12-5-9(6)8/h6,9H,3-5H2,1-2H3 |
| InChIKey | PSFRKFUFTXMMCO-UHFFFAOYSA-N |
| Molecular Weight | 166.220 g/mol |
| SMILES | CC1C2C(=C(C(OC2)=O)C)CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.965605 |