| SpectraBase Compound ID | KYnPUatT7QS |
|---|---|
| InChI | InChI=1S/C11H11NO2/c1-3-8-14-11(13)12-10-6-4-9(2)5-7-10/h1,4-7H,8H2,2H3,(H,12,13) |
| InChIKey | ORRPYYREPDPJNU-UHFFFAOYSA-N |
| Mol Weight | 189.21 g/mol |
| Molecular Formula | C11H11NO2 |
| Exact Mass | 189.078979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4wMJQPt9ldr |
|---|---|
| Name | Carbanilic acid, p-methyl-, 2-propynyl ester; 2-propyn-1-ol, p-methylcarbanilate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.078978596 u |
| Formula | C11H11NO2 |
| InChI | InChI=1S/C11H11NO2/c1-3-8-14-11(13)12-10-6-4-9(2)5-7-10/h1,4-7H,8H2,2H3,(H,12,13) |
| InChIKey | ORRPYYREPDPJNU-UHFFFAOYSA-N |
| Molecular Weight | 189.214 g/mol |
| SMILES | N(C1=CC=C(C=C1)C)C(OCC#C)=O |