| SpectraBase Compound ID | 5QmMDwC5fgz |
|---|---|
| InChI | InChI=1S/C14H24O2/c1-4-6-7-8-9-10-11-12-16-14(15)13(3)5-2/h5-7H,4,8-12H2,1-3H3/b7-6-,13-5+ |
| InChIKey | CBBIZAOSNQYHSI-ZQNRWWJISA-N |
| Mol Weight | 224.34 g/mol |
| Molecular Formula | C14H24O2 |
| Exact Mass | 224.17763 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8pnzKBXprj |
|---|---|
| Name | Nonenyl tiglate, 6Z- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.177630011 u |
| Formula | C14H24O2 |
| InChI | InChI=1S/C14H24O2/c1-4-6-7-8-9-10-11-12-16-14(15)13(3)5-2/h5-7H,4,8-12H2,1-3H3/b7-6-,13-5+ |
| InChIKey | CBBIZAOSNQYHSI-ZQNRWWJISA-N |
| Molecular Weight | 224.344 g/mol |
| SMILES | C(OCCCCC\C=C/CC)(\C(=C\C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960596 |