| SpectraBase Compound ID | LWDmsCOCqtw |
|---|---|
| InChI | InChI=1S/C16H28O2/c1-4-6-7-8-9-10-11-12-13-14-18-16(17)15(3)5-2/h5,12-13H,4,6-11,14H2,1-3H3/b13-12+,15-5+ |
| InChIKey | WLRUABOBSSGBFR-UGLIDWPASA-N |
| Mol Weight | 252.4 g/mol |
| Molecular Formula | C16H28O2 |
| Exact Mass | 252.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GwNF54rbLPJ |
|---|---|
| Name | Undecenyl tiglate, 2E- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.208930140 u |
| Formula | C16H28O2 |
| InChI | InChI=1S/C16H28O2/c1-4-6-7-8-9-10-11-12-13-14-18-16(17)15(3)5-2/h5,12-13H,4,6-11,14H2,1-3H3/b13-12+,15-5+ |
| InChIKey | WLRUABOBSSGBFR-UGLIDWPASA-N |
| Molecular Weight | 252.398 g/mol |
| SMILES | C(OC\C=C\CCCCCCCC)(\C(=C\C)C)=O |