| SpectraBase Compound ID | Dh19rn4HM1u |
|---|---|
| InChI | InChI=1S/C17H14O4/c1-3-12-20-17(18)13-4-6-15(7-5-13)21-16-10-8-14(19-2)9-11-16/h1,4-11H,12H2,2H3 |
| InChIKey | YFPRHNIXSDTOMS-UHFFFAOYSA-N |
| Mol Weight | 282.3 g/mol |
| Molecular Formula | C17H14O4 |
| Exact Mass | 282.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FEXcy2ZoiV0 |
|---|---|
| Name | Benzoic acid, 4-(4-methoxyphenoxy)-, 2-propynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.089208927 u |
| Formula | C17H14O4 |
| InChI | InChI=1S/C17H14O4/c1-3-12-20-17(18)13-4-6-15(7-5-13)21-16-10-8-14(19-2)9-11-16/h1,4-11H,12H2,2H3 |
| InChIKey | YFPRHNIXSDTOMS-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C=C1)OC)OC1=CC=C(C=C1)C(OCC#C)=O |