| SpectraBase Compound ID | 3Ykcf5UD3A5 |
|---|---|
| InChI | InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h7-8,11H,2-6,9-10H2,1H3/b8-7+ |
| InChIKey | ADZMLQKJPQFTIS-BQYQJAHWSA-N |
| Mol Weight | 196.29 g/mol |
| Molecular Formula | C12H20O2 |
| Exact Mass | 196.14633 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2u4ZXZnGB2G |
|---|---|
| Name | (E)-Dodec-5-en-4-olide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.146329882 u |
| Formula | C12H20O2 |
| InChI | InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h7-8,11H,2-6,9-10H2,1H3/b8-7+ |
| InChIKey | ADZMLQKJPQFTIS-BQYQJAHWSA-N |
| Molecular Weight | 196.290 g/mol |
| SMILES | C1(CCC(O1)\C=C\CCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.989413 |