| SpectraBase Compound ID | DMBsGUBmnq9 |
|---|---|
| InChI | InChI=1S/C16H18O2/c1-2-3-4-8-14-18-16(17)13-9-12-15-10-6-5-7-11-15/h2-7,9-12H,1,8,13-14H2/b4-3+,12-9+ |
| InChIKey | NOIKEYSWQZDUNA-GMHKHPCXSA-N |
| Mol Weight | 242.32 g/mol |
| Molecular Formula | C16H18O2 |
| Exact Mass | 242.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GscCsWyuaXl |
|---|---|
| Name | (3E)-3,5-Hexadienyl 4-phenyl-3-butenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.130679818 u |
| Formula | C16H18O2 |
| InChI | InChI=1S/C16H18O2/c1-2-3-4-8-14-18-16(17)13-9-12-15-10-6-5-7-11-15/h2-7,9-12H,1,8,13-14H2/b4-3+,12-9+ |
| InChIKey | NOIKEYSWQZDUNA-GMHKHPCXSA-N |
| Molecular Weight | 242.318 g/mol |
| SMILES | C(=O)(OCC\C=C\C=C)C\C=C\C=1C=CC=CC1 |