| SpectraBase Compound ID | CDDMgbDeQm9 |
|---|---|
| InChI | InChI=1S/C18H20O/c1-14-6-10-16(11-7-14)4-3-5-18(19)17-12-8-15(2)9-13-17/h6-13H,3-5H2,1-2H3 |
| InChIKey | WJZFUWHFSTYLIY-UHFFFAOYSA-N |
| Mol Weight | 252.36 g/mol |
| Molecular Formula | C18H20O |
| Exact Mass | 252.151415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bvb4jNJaOCb |
|---|---|
| Name | 1-Butanone, 1,4-bis(4-methylphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.151415263 u |
| Formula | C18H20O |
| InChI | InChI=1S/C18H20O/c1-14-6-10-16(11-7-14)4-3-5-18(19)17-12-8-15(2)9-13-17/h6-13H,3-5H2,1-2H3 |
| InChIKey | WJZFUWHFSTYLIY-UHFFFAOYSA-N |
| Molecular Weight | 252.357 g/mol |
| SMILES | Cc1ccc(cc1)C(=O)CCCc1ccc(cc1)C |