| SpectraBase Compound ID | 7fVDJbVXDra |
|---|---|
| InChI | InChI=1S/C11H10ClNO3/c1-3-6-16-11(14)13-9-7-8(12)4-5-10(9)15-2/h1,4-5,7H,6H2,2H3,(H,13,14) |
| InChIKey | SYPJDSNAGKCGCO-UHFFFAOYSA-N |
| Mol Weight | 239.66 g/mol |
| Molecular Formula | C11H10ClNO3 |
| Exact Mass | 239.034921 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3wpS1IhpszD |
|---|---|
| Name | Carbonic acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, propargyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.034920883 u |
| Formula | C11H10ClNO3 |
| InChI | InChI=1S/C11H10ClNO3/c1-3-6-16-11(14)13-9-7-8(12)4-5-10(9)15-2/h1,4-5,7H,6H2,2H3,(H,13,14) |
| InChIKey | SYPJDSNAGKCGCO-UHFFFAOYSA-N |
| Molecular Weight | 239.658 g/mol |
| SMILES | COC1=CC=C(C=C1NC(OCC#C)=O)Cl |