| SpectraBase Compound ID | BPsANJ1wV8G |
|---|---|
| InChI | InChI=1S/C11H10/c1-2-3-5-8-11-9-6-4-7-10-11/h2-4,6-7,9-10H,1H3/b3-2+ |
| InChIKey | QVQOBKYOTOJCOZ-NSCUHMNNSA-N |
| Mol Weight | 142.2 g/mol |
| Molecular Formula | C11H10 |
| Exact Mass | 142.07825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2R46VDChvc1 |
|---|---|
| Name | (3E)-3-Penten-1-ynylbenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.078250322 u |
| Formula | C11H10 |
| InChI | InChI=1S/C11H10/c1-2-3-5-8-11-9-6-4-7-10-11/h2-4,6-7,9-10H,1H3/b3-2+ |
| InChIKey | QVQOBKYOTOJCOZ-NSCUHMNNSA-N |
| Molecular Weight | 142.201 g/mol |
| SMILES | C(#CC=1C=CC=CC1)\C=C\C |