| SpectraBase Compound ID | BmgvuAhIPrn |
|---|---|
| InChI | InChI=1S/C12H22O2/c1-6-12(5,9-8-10(3)4)11(13)14-7-2/h7,10H,2,6,8-9H2,1,3-5H3 |
| InChIKey | MFGZFJKMDLWEHE-UHFFFAOYSA-N |
| Mol Weight | 198.31 g/mol |
| Molecular Formula | C12H22O2 |
| Exact Mass | 198.16198 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KptMo1Fsm1P |
|---|---|
| Name | Vinyl 2-ethyl-2,5-dimethylhexanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.161979946 u |
| Formula | C12H22O2 |
| InChI | InChI=1S/C12H22O2/c1-6-12(5,9-8-10(3)4)11(13)14-7-2/h7,10H,2,6,8-9H2,1,3-5H3 |
| InChIKey | MFGZFJKMDLWEHE-UHFFFAOYSA-N |
| Molecular Weight | 198.306 g/mol |
| SMILES | CCC(C)(CCC(C)C)C(=O)OC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.840472 |