| SpectraBase Compound ID | F2f15VoD4KJ |
|---|---|
| InChI | InChI=1S/C11H9ClN2O2/c1-16-11(15)8(6-13)4-7-5-9(14)2-3-10(7)12/h2-5H,14H2,1H3/b8-4+ |
| InChIKey | GMBWTVQNBNXPTC-XBXARRHUSA-N |
| Mol Weight | 236.66 g/mol |
| Molecular Formula | C11H9ClN2O2 |
| Exact Mass | 236.035255 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A2zHedDeiHR |
|---|---|
| Name | 2-Propenoic acid, 3-(5-amino-2-chlorophenyl)-2-cyano-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.035255236 u |
| Formula | C11H9ClN2O2 |
| InChI | InChI=1S/C11H9ClN2O2/c1-16-11(15)8(6-13)4-7-5-9(14)2-3-10(7)12/h2-5H,14H2,1H3/b8-4+ |
| InChIKey | GMBWTVQNBNXPTC-XBXARRHUSA-N |
| SMILES | NC=1C=C(C(=CC1)Cl)\C=C\(C(OC)=O)C#N |