| SpectraBase Compound ID | 4xsRseVoMB5 |
|---|---|
| InChI | InChI=1S/C12H16N2S.C6H8O7/c1-10-6-9-15-11(10)4-5-12-13-7-3-8-14(12)2;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-6,9H,3,7-8H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b5-4+; |
| InChIKey | OLOCXIJVDIVAHH-FXRZFVDSSA-N |
| Mol Weight | 412.46 g/mol |
| Molecular Formula | C18H24N2O7S |
| Exact Mass | 412.130422 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Jym3V1391r |
|---|---|
| Name | Morantel citrate salt in kbr |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.130422288 u |
| Formula | C18H24N2O7S |
| InChI | InChI=1S/C12H16N2S.C6H8O7/c1-10-6-9-15-11(10)4-5-12-13-7-3-8-14(12)2;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-6,9H,3,7-8H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b5-4+; |
| InChIKey | OLOCXIJVDIVAHH-FXRZFVDSSA-N |
| Molecular Weight | 412.457 g/mol |
| SMILES | OC(C(CC(=O)O)(CC(=O)O)O)=O.C1N=C(N(CC1)C)\C=C\C=1SC=CC1C |