| SpectraBase Compound ID | CYjC66ok3BB |
|---|---|
| InChI | InChI=1S/C12H18O2/c1-4-6-7-8-9-10-11(3)12(13)14-5-2/h10H,4-7H2,1-3H3/b11-10+ |
| InChIKey | DGGKDPLVISQMIS-ZHACJKMWSA-N |
| Mol Weight | 194.27 g/mol |
| Molecular Formula | C12H18O2 |
| Exact Mass | 194.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GGD6a2QpTb0 |
|---|---|
| Name | Ethyl 2-methyl-2-nonen-4-ynoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.130679818 u |
| Formula | C12H18O2 |
| InChI | InChI=1S/C12H18O2/c1-4-6-7-8-9-10-11(3)12(13)14-5-2/h10H,4-7H2,1-3H3/b11-10+ |
| InChIKey | DGGKDPLVISQMIS-ZHACJKMWSA-N |
| Molecular Weight | 194.274 g/mol |
| SMILES | C(\C(=C\C#CCCCC)C)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.893147 |