| SpectraBase Compound ID | CwqNhVI56el |
|---|---|
| InChI | InChI=1S/C11H16O/c1-4-5-6-7-8-11(12)9-10(2)3/h9H,4-6H2,1-3H3 |
| InChIKey | DPPUOMBLBGAIOU-UHFFFAOYSA-N |
| Mol Weight | 164.25 g/mol |
| Molecular Formula | C11H16O |
| Exact Mass | 164.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JKovAbsKcw0 |
|---|---|
| Name | 1-Isobutenylhepta-2-yn-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.120115134 u |
| Formula | C11H16O |
| InChI | InChI=1S/C11H16O/c1-4-5-6-7-8-11(12)9-10(2)3/h9H,4-6H2,1-3H3 |
| InChIKey | DPPUOMBLBGAIOU-UHFFFAOYSA-N |
| Molecular Weight | 164.248 g/mol |
| SMILES | C(C#CCCCC)(=O)C=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956952 |