| SpectraBase Compound ID | OFGw16KHTh |
|---|---|
| InChI | InChI=1S/C18H14/c1-15-9-3-5-11-17(15)13-7-8-14-18-12-6-4-10-16(18)2/h3-6,9-12H,1-2H3 |
| InChIKey | FIMHWGIHEKAMRH-UHFFFAOYSA-N |
| Mol Weight | 230.31 g/mol |
| Molecular Formula | C18H14 |
| Exact Mass | 230.10955 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D464zG6ydeB |
|---|---|
| Name | 1,4-di(o-Tolyl)-buta-1,3-diyne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.109550451 u |
| Formula | C18H14 |
| InChI | InChI=1S/C18H14/c1-15-9-3-5-11-17(15)13-7-8-14-18-12-6-4-10-16(18)2/h3-6,9-12H,1-2H3 |
| InChIKey | FIMHWGIHEKAMRH-UHFFFAOYSA-N |
| Molecular Weight | 230.310 g/mol |
| SMILES | C(#CC#CC=1C(=CC=CC1)C)C=1C(=CC=CC1)C |