| SpectraBase Compound ID | GTu9UjPUxps |
|---|---|
| InChI | InChI=1S/C12H22O2/c1-5-7-8-9-10-12(3,4)11(13)14-6-2/h6H,2,5,7-10H2,1,3-4H3 |
| InChIKey | ZHXNRJQVYHYIMK-UHFFFAOYSA-N |
| Mol Weight | 198.31 g/mol |
| Molecular Formula | C12H22O2 |
| Exact Mass | 198.16198 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | L9kcVBkzXjq |
|---|---|
| Name | Vinyl neodecanoate, mixture of isomers |
| 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/c1-5-7-8-9-10-12(3,4)11(13)14-6-2/h6H,2,5,7-10H2,1,3-4H3 |
| InChIKey | ZHXNRJQVYHYIMK-UHFFFAOYSA-N |
| Molecular Weight | 198.306 g/mol |
| SMILES | C(=O)(C(CCCCCC)(C)C)OC=C |
| Spectrum/Structure Validation Score (Raman) | 0.918696 |