| SpectraBase Compound ID | KkbP8DFLTJA |
|---|---|
| InChI | InChI=1S/C16H28O2/c1-4-5-6-7-8-9-10-11-12-13-18-16(17)14-15(2)3/h11-12,14H,4-10,13H2,1-3H3/b12-11+ |
| InChIKey | DWOVFZMUPZHBTN-VAWYXSNFSA-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 | 5nfc6u1soF5 |
|---|---|
| Name | 3-Methyl-2-butenoic acid, undec-2-enyl ester |
| 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/c1-4-5-6-7-8-9-10-11-12-13-18-16(17)14-15(2)3/h11-12,14H,4-10,13H2,1-3H3/b12-11+ |
| InChIKey | DWOVFZMUPZHBTN-VAWYXSNFSA-N |
| Molecular Weight | 252.398 g/mol |
| SMILES | CC(C)=CC(=O)OC\C=C\CCCCCCCC |