| SpectraBase Compound ID | HBAWOJ2HOpE |
|---|---|
| InChI | InChI=1S/C16H15Cl2NO3/c1-2-21-10-22-12-8-6-11(7-9-12)16(20)19-14-5-3-4-13(17)15(14)18/h3-9H,2,10H2,1H3,(H,19,20) |
| InChIKey | ICWUMLXQKFTJMH-UHFFFAOYSA-N |
| Mol Weight | 340.21 g/mol |
| Molecular Formula | C16H15Cl2NO3 |
| Exact Mass | 339.042899 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6NmQVBvSl1z |
|---|---|
| Name | Etobenzanid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.042898744 u |
| Formula | C16H15Cl2NO3 |
| InChI | InChI=1S/C16H15Cl2NO3/c1-2-21-10-22-12-8-6-11(7-9-12)16(20)19-14-5-3-4-13(17)15(14)18/h3-9H,2,10H2,1H3,(H,19,20) |
| InChIKey | ICWUMLXQKFTJMH-UHFFFAOYSA-N |
| Molecular Weight | 340.206 g/mol |
| SMILES | C(NC1=C(Cl)C(Cl)=CC=C1)(=O)C1=CC=C(C=C1)OCOCC |