| SpectraBase Compound ID | 7OtKd3XRUpT |
|---|---|
| InChI | InChI=1S/C16H16O2/c1-2-15(13-9-5-3-6-10-13)16(17)18-14-11-7-4-8-12-14/h3-12,15H,2H2,1H3 |
| InChIKey | USOFKNJNPHEBDW-UHFFFAOYSA-N |
| Mol Weight | 240.3 g/mol |
| Molecular Formula | C16H16O2 |
| Exact Mass | 240.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | eC9RaF4ic2 |
|---|---|
| Name | Butyric acid, 2-phenyl-, phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.115029753 u |
| Formula | C16H16O2 |
| InChI | InChI=1S/C16H16O2/c1-2-15(13-9-5-3-6-10-13)16(17)18-14-11-7-4-8-12-14/h3-12,15H,2H2,1H3 |
| InChIKey | USOFKNJNPHEBDW-UHFFFAOYSA-N |
| Molecular Weight | 240.302 g/mol |
| SMILES | C(C(C(OC1=CC=CC=C1)=O)C1=CC=CC=C1)C |