| SpectraBase Compound ID | 2lZXPqPUPZG |
|---|---|
| InChI | InChI=1S/C15H16O/c1-2-3-12-15(16)13-8-7-11-14-9-5-4-6-10-14/h4-7,9-11H,2-3,12H2,1H3/b11-7+ |
| InChIKey | YEMYHDRSSOBKCS-YRNVUSSQSA-N |
| Mol Weight | 212.29 g/mol |
| Molecular Formula | C15H16O |
| Exact Mass | 212.120115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ysdhn3tMrr |
|---|---|
| Name | (E)-1-Phenyl-5-non-1-en-3-ynone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.120115134 u |
| Formula | C15H16O |
| InChI | InChI=1S/C15H16O/c1-2-3-12-15(16)13-8-7-11-14-9-5-4-6-10-14/h4-7,9-11H,2-3,12H2,1H3/b11-7+ |
| InChIKey | YEMYHDRSSOBKCS-YRNVUSSQSA-N |
| Molecular Weight | 212.292 g/mol |
| SMILES | C(#CC(=O)CCCC)\C=C\C=1C=CC=CC1 |