| SpectraBase Compound ID | 6lklboZKC2Z |
|---|---|
| InChI | InChI=1S/C19H14O/c1-15-3-7-17(8-4-15)11-13-19(20)14-12-18-9-5-16(2)6-10-18/h3-10H,1-2H3 |
| InChIKey | LZRRKCOYRSDPQD-UHFFFAOYSA-N |
| Mol Weight | 258.32 g/mol |
| Molecular Formula | C19H14O |
| Exact Mass | 258.104465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | tfh1yeebgm |
|---|---|
| Name | 1,4-Pentadiyn-3-one, 1,5-bis(4-methylphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.104465070 u |
| Formula | C19H14O |
| InChI | InChI=1S/C19H14O/c1-15-3-7-17(8-4-15)11-13-19(20)14-12-18-9-5-16(2)6-10-18/h3-10H,1-2H3 |
| InChIKey | LZRRKCOYRSDPQD-UHFFFAOYSA-N |
| Molecular Weight | 258.320 g/mol |
| SMILES | C1(=CC=C(C=C1)C)C#CC(=O)C#CC1=CC=C(C=C1)C |