| SpectraBase Compound ID | InPzhZKEfCz |
|---|---|
| InChI | InChI=1S/C16H14O3/c17-16(13-9-5-2-6-10-13)18-11-14-15(19-14)12-7-3-1-4-8-12/h1-10,14-15H,11H2 |
| InChIKey | JTESHYJGZHVCEI-UHFFFAOYSA-N |
| Mol Weight | 254.28 g/mol |
| Molecular Formula | C16H14O3 |
| Exact Mass | 254.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J4dWVQ5EEgE |
|---|---|
| Name | (3-Phenyloxiran-2-yl)methyl benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.094294308 u |
| Formula | C16H14O3 |
| InChI | InChI=1S/C16H14O3/c17-16(13-9-5-2-6-10-13)18-11-14-15(19-14)12-7-3-1-4-8-12/h1-10,14-15H,11H2 |
| InChIKey | JTESHYJGZHVCEI-UHFFFAOYSA-N |
| Molecular Weight | 254.285 g/mol |
| SMILES | C1=CC=CC=C1C1C(COC(C2=CC=CC=C2)=O)O1 |