| SpectraBase Compound ID | EnnILnKMakm |
|---|---|
| InChI | InChI=1S/C10H16O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3,5,7-8H,4,6,9H2,1-2H3/b5-3+,8-7+ |
| InChIKey | SCVZKPKDMFXESQ-VSAQMIDASA-N |
| Mol Weight | 168.24 g/mol |
| Molecular Formula | C10H16O2 |
| Exact Mass | 168.11503 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 7KvkUZzk0ip |
|---|---|
| Name | Sorbic acid, butyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.115029753 u |
| Formula | C10H16O2 |
| InChI | InChI=1S/C10H16O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3,5,7-8H,4,6,9H2,1-2H3/b5-3+,8-7+ |
| InChIKey | SCVZKPKDMFXESQ-VSAQMIDASA-N |
| Molecular Weight | 168.236 g/mol |
| SMILES | CCCCOC(\C=C\C=C\C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.989408 |