| SpectraBase Compound ID | CimVTGP2SbN |
|---|---|
| InChI | InChI=1S/C12H10ClNO3/c13-5-6-14-11(15)9-7-8-3-1-2-4-10(8)17-12(9)16/h1-4,7H,5-6H2,(H,14,15) |
| InChIKey | BACZDTYEAAXMEM-UHFFFAOYSA-N |
| Mol Weight | 251.67 g/mol |
| Molecular Formula | C12H10ClNO3 |
| Exact Mass | 251.034921 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GkWVDeTMbUb |
|---|---|
| Name | N-(2-Chloroethyl)-3-coumarincarboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.034920883 u |
| Formula | C12H10ClNO3 |
| InChI | InChI=1S/C12H10ClNO3/c13-5-6-14-11(15)9-7-8-3-1-2-4-10(8)17-12(9)16/h1-4,7H,5-6H2,(H,14,15) |
| InChIKey | BACZDTYEAAXMEM-UHFFFAOYSA-N |
| Molecular Weight | 251.669 g/mol |
| SMILES | C1=CC=CC2=C1OC(=O)C(=C2)C(NCCCl)=O |