| SpectraBase Compound ID | INX7EGaTId0 |
|---|---|
| InChI | InChI=1S/C11H18O2/c1-3-4-5-8-11(2)9-6-7-10(12)13-11/h6-7H,3-5,8-9H2,1-2H3 |
| InChIKey | AJVFYHYYBKHSHE-UHFFFAOYSA-N |
| Mol Weight | 182.26 g/mol |
| Molecular Formula | C11H18O2 |
| Exact Mass | 182.13068 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3mlGTJhoyAd |
|---|---|
| Name | 5,6-Dihydro-6-methyl-6-pentyl-2H-pyran-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.130679818 u |
| Formula | C11H18O2 |
| InChI | InChI=1S/C11H18O2/c1-3-4-5-8-11(2)9-6-7-10(12)13-11/h6-7H,3-5,8-9H2,1-2H3 |
| InChIKey | AJVFYHYYBKHSHE-UHFFFAOYSA-N |
| Molecular Weight | 182.263 g/mol |
| SMILES | CC1(OC(C=CC1)=O)CCCCC |
| Spectrum/Structure Validation Score (Raman) | 0.930408 |