| SpectraBase Compound ID | 6g3EnikMT1P |
|---|---|
| InChI | InChI=1S/C10H18O2/c1-3-4-5-9-6-7-10(11)12-8(9)2/h8-9H,3-7H2,1-2H3 |
| InChIKey | WDFQAEGJGRCPLX-UHFFFAOYSA-N |
| Mol Weight | 170.25 g/mol |
| Molecular Formula | C10H18O2 |
| Exact Mass | 170.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ce4wWMS5OGz |
|---|---|
| Name | 5-Butyl-6-methyl-2-tetrahydropyranone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.130679818 u |
| Formula | C10H18O2 |
| InChI | InChI=1S/C10H18O2/c1-3-4-5-9-6-7-10(11)12-8(9)2/h8-9H,3-7H2,1-2H3 |
| InChIKey | WDFQAEGJGRCPLX-UHFFFAOYSA-N |
| Molecular Weight | 170.252 g/mol |
| SMILES | C1(CCC(C(O1)C)CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981284 |