| SpectraBase Compound ID | 2jOdAS9dofp |
|---|---|
| InChI | InChI=1S/C15H18/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h8-14H,2-5H2,1H3/b12-9- |
| InChIKey | NUTVAFWFYDMCDV-XFXZXTDPSA-N |
| Mol Weight | 198.31 g/mol |
| Molecular Formula | C15H18 |
| Exact Mass | 198.140851 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1wQ3Vr4CFAb |
|---|---|
| Name | (E)-1-Phenyl-1-nonen-3-yne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.140850580 u |
| Formula | C15H18 |
| InChI | InChI=1S/C15H18/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h8-14H,2-5H2,1H3/b12-9- |
| InChIKey | NUTVAFWFYDMCDV-XFXZXTDPSA-N |
| Molecular Weight | 198.309 g/mol |
| SMILES | C(#CCCCCC)\C=C/C1=CC=CC=C1 |