| SpectraBase Compound ID | 8WYApYk89ao |
|---|---|
| InChI | InChI=1S/C12H22O2/c1-4-6-7-8-10-11(3)14-12(13)9-5-2/h8,10-11H,4-7,9H2,1-3H3/b10-8+ |
| InChIKey | GMTXHKHXXKDNAQ-CSKARUKUSA-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 | IUqshoKcTbV |
|---|---|
| Name | Butanoic acid, oct-3-en-2-yl ester |
| 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/c1-4-6-7-8-10-11(3)14-12(13)9-5-2/h8,10-11H,4-7,9H2,1-3H3/b10-8+ |
| InChIKey | GMTXHKHXXKDNAQ-CSKARUKUSA-N |
| Molecular Weight | 198.306 g/mol |
| SMILES | CCCC(OC(C)\C=C\CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933289 |