| SpectraBase Compound ID | BSXCXDMoYsa |
|---|---|
| InChI | InChI=1S/C19H16O2/c20-19(21-14-16-6-2-1-3-7-16)18-9-5-4-8-17(18)13-12-15-10-11-15/h1-9,15H,10-11,14H2 |
| InChIKey | GRGKOYQVUTXOMX-UHFFFAOYSA-N |
| Mol Weight | 276.33 g/mol |
| Molecular Formula | C19H16O2 |
| Exact Mass | 276.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EYTF35DiDIJ |
|---|---|
| Name | Benzyl 2-(cyclopropylethynyl)benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.115029753 u |
| Formula | C19H16O2 |
| InChI | InChI=1S/C19H16O2/c20-19(21-14-16-6-2-1-3-7-16)18-9-5-4-8-17(18)13-12-15-10-11-15/h1-9,15H,10-11,14H2 |
| InChIKey | GRGKOYQVUTXOMX-UHFFFAOYSA-N |
| SMILES | C=1C=C(C(OCC2=CC=CC=C2)=O)C(=CC1)C#CC1CC1 |