| SpectraBase Compound ID | 7zbOeM4vY6h |
|---|---|
| InChI | InChI=1S/C18H18O2/c1-13(18(20)16-11-7-4-8-12-16)17(14(2)19)15-9-5-3-6-10-15/h3-13,17H,1-2H3/t13-,17-/m0/s1 |
| InChIKey | FFFVUYKDDNKVDS-GUYCJALGSA-N |
| Mol Weight | 266.34 g/mol |
| Molecular Formula | C18H18O2 |
| Exact Mass | 266.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GyS3vlngpI7 |
|---|---|
| Name | (2S*,3R*)-1,3-Diphenyl-2-methyl-1,4-pentandione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.130679818 u |
| Formula | C18H18O2 |
| InChI | InChI=1S/C18H18O2/c1-13(18(20)16-11-7-4-8-12-16)17(14(2)19)15-9-5-3-6-10-15/h3-13,17H,1-2H3/t13-,17-/m0/s1 |
| InChIKey | FFFVUYKDDNKVDS-GUYCJALGSA-N |
| Molecular Weight | 266.340 g/mol |
| SMILES | [C@](C(=O)C=1C=CC=CC1)([C@@](C(=O)C)(C1=CC=CC=C1)[H])(C)[H] |