| SpectraBase Compound ID | fSMY1C91t5 |
|---|---|
| InChI | InChI=1S/C16H14O2/c1-11-7-9-13(10-8-11)15-16(18-15)14(17)12-5-3-2-4-6-12/h2-10,15-16H,1H3/t15-,16-/m1/s1 |
| InChIKey | PAAXZHAKZNCFBI-HZPDHXFCSA-N |
| Mol Weight | 238.29 g/mol |
| Molecular Formula | C16H14O2 |
| Exact Mass | 238.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ttiZvV6F1K |
|---|---|
| Name | (Trans)-2-benzoyl-3-(p-methylphenyl)-oxirane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.099379689 u |
| Formula | C16H14O2 |
| InChI | InChI=1S/C16H14O2/c1-11-7-9-13(10-8-11)15-16(18-15)14(17)12-5-3-2-4-6-12/h2-10,15-16H,1H3/t15-,16-/m1/s1 |
| InChIKey | PAAXZHAKZNCFBI-HZPDHXFCSA-N |
| Molecular Weight | 238.286 g/mol |
| SMILES | [C@]1(O[C@@]1(C=1C=CC(=CC1)C)[H])(C(C=1C=CC=CC1)=O)[H] |