| SpectraBase Compound ID | FVaMO3kQA9k |
|---|---|
| InChI | InChI=1S/C23H22O/c1-15-11-17(3)22(18(4)12-15)9-7-21(24)8-10-23-19(5)13-16(2)14-20(23)6/h11-14H,1-6H3 |
| InChIKey | XTHJKNXKQMUYOB-UHFFFAOYSA-N |
| Mol Weight | 314.43 g/mol |
| Molecular Formula | C23H22O |
| Exact Mass | 314.167065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DRk2M4Et6CM |
|---|---|
| Name | 1,4-Pentadiyn-3-one, 1,5-bis(2,4,6-trimethylphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.167065327 u |
| Formula | C23H22O |
| InChI | InChI=1S/C23H22O/c1-15-11-17(3)22(18(4)12-15)9-7-21(24)8-10-23-19(5)13-16(2)14-20(23)6/h11-14H,1-6H3 |
| InChIKey | XTHJKNXKQMUYOB-UHFFFAOYSA-N |
| Molecular Weight | 314.428 g/mol |
| SMILES | C(#CC1=C(C)C=C(C=C1C)C)C(C#CC1=C(C)C=C(C=C1C)C)=O |