| SpectraBase Compound ID | CjhpyTQXwkH |
|---|---|
| InChI | InChI=1S/C23H16O6.C11H14N2S/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2,4-6,9H,3,7-8H2,1H3/b;6-5+ |
| InChIKey | AQXXZDYPVDOQEE-MXDQRGINSA-N |
| Mol Weight | 594.68 g/mol |
| Molecular Formula | C34H30N2O6S |
| Exact Mass | 594.182458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7x17e6DIHdB |
|---|---|
| Name | Pyrantel pamoate in kbr |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 594.182457862 u |
| Formula | C34H30N2O6S |
| InChI | InChI=1S/C23H16O6.C11H14N2S/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2,4-6,9H,3,7-8H2,1H3/b;6-5+ |
| InChIKey | AQXXZDYPVDOQEE-MXDQRGINSA-N |
| SMILES | C1N=C(N(CC1)C)\C=C\C=1SC=CC1.OC=1C(=CC=2C=CC=CC2C1CC=1C=2C=CC=CC2C=C(C(=O)O)C1O)C(=O)O |