| SpectraBase Compound ID | G650bH3dU3K |
|---|---|
| InChI | InChI=1S/C14H23Cl2N3O2/c15-6-8-18(9-7-16)10-11-19-12(20)14(17-13(19)21)4-2-1-3-5-14/h1-11H2,(H,17,21) |
| InChIKey | QNKJFXARIMSDBR-UHFFFAOYSA-N |
| Mol Weight | 336.26 g/mol |
| Molecular Formula | C14H23Cl2N3O2 |
| Exact Mass | 335.116732 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GGulFiQsD0m |
|---|---|
| Name | Spiromustine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.116732391 u |
| Formula | C14H23Cl2N3O2 |
| InChI | InChI=1S/C14H23Cl2N3O2/c15-6-8-18(9-7-16)10-11-19-12(20)14(17-13(19)21)4-2-1-3-5-14/h1-11H2,(H,17,21) |
| InChIKey | QNKJFXARIMSDBR-UHFFFAOYSA-N |
| Molecular Weight | 336.263 g/mol |
| SMILES | C1CCC2(CC1)NC(=O)N(C2=O)CCN(CCCl)CCCl |