| SpectraBase Compound ID | 9IRfTLrmbnq |
|---|---|
| InChI | InChI=1S/C9H12N2O.C2HCl3O2/c1-11(2)9(12)10-8-6-4-3-5-7-8;3-2(4,5)1(6)7/h3-7H,1-2H3,(H,10,12);(H,6,7) |
| InChIKey | XDWSZOWLJIWERG-UHFFFAOYSA-N |
| Mol Weight | 327.59 g/mol |
| Molecular Formula | C11H13Cl3N2O3 |
| Exact Mass | 325.999175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ix9oX24zfwV |
|---|---|
| Name | gc-2603 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.999175384 u |
| Formula | C11H13Cl3N2O3 |
| InChI | InChI=1S/C9H12N2O.C2HCl3O2/c1-11(2)9(12)10-8-6-4-3-5-7-8;3-2(4,5)1(6)7/h3-7H,1-2H3,(H,10,12);(H,6,7) |
| InChIKey | XDWSZOWLJIWERG-UHFFFAOYSA-N |
| Molecular Weight | 327.595 g/mol |
| SMILES | OC(C(Cl)(Cl)Cl)=O.N(C1=CC=CC=C1)C(N(C)C)=O |