| SpectraBase Compound ID | 8TJsD4NXAfU |
|---|---|
| InChI | InChI=1S/C21H20/c1-3-10-18(11-4-1)12-5-2-6-13-19-15-9-16-20-14-7-8-17-21(19)20/h1,3-4,7-10,14-18H,2,5,11-12H2 |
| InChIKey | XTYMDOOJVYVWLX-UHFFFAOYSA-N |
| Mol Weight | 272.39 g/mol |
| Molecular Formula | C21H20 |
| Exact Mass | 272.156501 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8DFtDNe39fW |
|---|---|
| Name | 5-(Cyclohexa-1,3-dien-5-yl)-1-naphthylpentyne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.156500644 u |
| Formula | C21H20 |
| InChI | InChI=1S/C21H20/c1-3-10-18(11-4-1)12-5-2-6-13-19-15-9-16-20-14-7-8-17-21(19)20/h1,3-4,7-10,14-18H,2,5,11-12H2 |
| InChIKey | XTYMDOOJVYVWLX-UHFFFAOYSA-N |
| Molecular Weight | 272.391 g/mol |
| SMILES | C(#CCCCC1C=CC=CC1)C1=C2C(C=CC=C2)=CC=C1 |