| SpectraBase Compound ID | 4cFqgCarPHS |
|---|---|
| InChI | InChI=1S/C9H14O/c1-4-6-9(7-5-2)8(3)10/h4-5,9H,1-2,6-7H2,3H3 |
| InChIKey | GXEKMVNPOLENKR-UHFFFAOYSA-N |
| Mol Weight | 138.21 g/mol |
| Molecular Formula | C9H14O |
| Exact Mass | 138.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Kr0qjKgueFb |
|---|---|
| Name | 5-Hexen-2-one, 3-(2-propenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 138.104465070 u |
| Formula | C9H14O |
| InChI | InChI=1S/C9H14O/c1-4-6-9(7-5-2)8(3)10/h4-5,9H,1-2,6-7H2,3H3 |
| InChIKey | GXEKMVNPOLENKR-UHFFFAOYSA-N |
| Molecular Weight | 138.210 g/mol |
| SMILES | C(=O)(C(CC=C)CC=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.844615 |