![2-{[(1-phenyl-2-propynyl)oxy]carbonyl}benzoic acid](/api/spectrum/J1asKCQfzXK/structure.png?h=300&w=458 "2-{[(1-phenyl-2-propynyl)oxy]carbonyl}benzoic acid")
| SpectraBase Compound ID | KNCk1Rr5ixL |
|---|---|
| InChI | InChI=1S/C17H12O4/c1-2-15(12-8-4-3-5-9-12)21-17(20)14-11-7-6-10-13(14)16(18)19/h1,3-11,15H,(H,18,19) |
| InChIKey | SKZLSPRPOSFZKP-UHFFFAOYSA-N |
| Mol Weight | 280.28 g/mol |
| Molecular Formula | C17H12O4 |
| Exact Mass | 280.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J1asKCQfzXK |
|---|---|
| Name | 2-{[(1-phenyl-2-propynyl)oxy]carbonyl}benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.073558862 u |
| Formula | C17H12O4 |
| InChI | InChI=1S/C17H12O4/c1-2-15(12-8-4-3-5-9-12)21-17(20)14-11-7-6-10-13(14)16(18)19/h1,3-11,15H,(H,18,19) |
| InChIKey | SKZLSPRPOSFZKP-UHFFFAOYSA-N |
| Molecular Weight | 280.279 g/mol |
| SMILES | OC(C=1C(C(OC(C#C)C2=CC=CC=C2)=O)=CC=CC1)=O |