| SpectraBase Compound ID | LyJicDK9Kv2 |
|---|---|
| InChI | InChI=1S/C12H20O/c1-3-5-7-11-8-9-13-10-12(11)6-4-2/h4,6H,3,5,7-10H2,1-2H3/b6-4+ |
| InChIKey | NJJIVJCGXJGCEG-GQCTYLIASA-N |
| Mol Weight | 180.29 g/mol |
| Molecular Formula | C12H20O |
| Exact Mass | 180.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IhXwaJt65cG |
|---|---|
| Name | 4-Butyl-3-propenyl-5,6-dihydro-2H-pyran |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.151415263 u |
| Formula | C12H20O |
| InChI | InChI=1S/C12H20O/c1-3-5-7-11-8-9-13-10-12(11)6-4-2/h4,6H,3,5,7-10H2,1-2H3/b6-4+ |
| InChIKey | NJJIVJCGXJGCEG-GQCTYLIASA-N |
| Molecular Weight | 180.291 g/mol |
| SMILES | C1(=C(CCCC)CCOC1)\C=C\C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.88516 |