| SpectraBase Compound ID | 7Rw1XJpFYgg |
|---|---|
| InChI | InChI=1S/C22H29NO5.C4H4O4/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5;5-3(6)1-2-4(7)8/h8-14H,7,15H2,1-6H3;1-2H,(H,5,6)(H,7,8)/b;2-1- |
| InChIKey | FSRLGULMGJGKGI-BTJKTKAUSA-N |
| Mol Weight | 503.55 g/mol |
| Molecular Formula | C26H33NO9 |
| Exact Mass | 503.215532 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4WPX7s1GNyJ |
|---|---|
| Name | Trimebutine maleate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 503.215531638 u |
| Formula | C26H33NO9 |
| InChI | InChI=1S/C22H29NO5.C4H4O4/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5;5-3(6)1-2-4(7)8/h8-14H,7,15H2,1-6H3;1-2H,(H,5,6)(H,7,8)/b;2-1- |
| InChIKey | FSRLGULMGJGKGI-BTJKTKAUSA-N |
| SMILES | C(O)(=O)\C=C/C(O)=O.COC=1C=C(C=C(C1OC)OC)C(=O)OCC(CC)(N(C)C)C1=CC=CC=C1 |