| SpectraBase Compound ID | 5RunQuouq9A |
|---|---|
| InChI | InChI=1S/C14H16O2/c1-4-8-12-9-6-7-10-13(12)16-14(15)11(3)5-2/h4-7,9-10H,1,8H2,2-3H3/b11-5+ |
| InChIKey | PWSSQABTEYXWAA-VZUCSPMQSA-N |
| Mol Weight | 216.28 g/mol |
| Molecular Formula | C14H16O2 |
| Exact Mass | 216.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5zMWhiNH1ax |
|---|---|
| Name | Phenyl tiglate, 2-allyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.115029753 u |
| Formula | C14H16O2 |
| InChI | InChI=1S/C14H16O2/c1-4-8-12-9-6-7-10-13(12)16-14(15)11(3)5-2/h4-7,9-10H,1,8H2,2-3H3/b11-5+ |
| InChIKey | PWSSQABTEYXWAA-VZUCSPMQSA-N |
| Molecular Weight | 216.280 g/mol |
| SMILES | C(OC1=C(C=CC=C1)CC=C)(\C(=C\C)C)=O |