| SpectraBase Compound ID | 4T88nzuOTDm |
|---|---|
| InChI | InChI=1S/C11H18O2/c1-2-3-4-5-8-11-10(12)7-6-9-13-11/h5,8,11H,2-4,6-7,9H2,1H3/b8-5+ |
| InChIKey | NGPUPTIFATUCHF-VMPITWQZSA-N |
| Mol Weight | 182.26 g/mol |
| Molecular Formula | C11H18O2 |
| Exact Mass | 182.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EMND4CRigD5 |
|---|---|
| Name | 2-(hex-1'-Enyl)tetrahydropyran-3-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/c1-2-3-4-5-8-11-10(12)7-6-9-13-11/h5,8,11H,2-4,6-7,9H2,1H3/b8-5+ |
| InChIKey | NGPUPTIFATUCHF-VMPITWQZSA-N |
| Molecular Weight | 182.263 g/mol |
| SMILES | C1(C(OCCC1)\C=C\CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967604 |