| SpectraBase Compound ID | 9VUqfCWsKuN |
|---|---|
| InChI | InChI=1S/C10H16O2/c1-4-5-8-10(2,3)7-6-9(11)12-8/h6-8H,4-5H2,1-3H3 |
| InChIKey | VTJINEXSQSUCBB-UHFFFAOYSA-N |
| Mol Weight | 168.24 g/mol |
| Molecular Formula | C10H16O2 |
| Exact Mass | 168.11503 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8xpP3OkJcPq |
|---|---|
| Name | 5,6-Dihydro-5,5-dimethyl-6-propyl-2H-pyran-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.115029753 u |
| Formula | C10H16O2 |
| InChI | InChI=1S/C10H16O2/c1-4-5-8-10(2,3)7-6-9(11)12-8/h6-8H,4-5H2,1-3H3 |
| InChIKey | VTJINEXSQSUCBB-UHFFFAOYSA-N |
| Molecular Weight | 168.236 g/mol |
| SMILES | CCCC1OC(C=CC1(C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.925234 |