| SpectraBase Compound ID | 4mAAnFIy4gD |
|---|---|
| InChI | InChI=1S/C29H40N2O4.2Cl.H2O/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;;;/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3;;;1H2/t18-,21-,24+,25-;;;/m1.../s1 |
| InChIKey | MNGUZNISBXGNPO-MZRUSFJHSA-N |
| Mol Weight | 569.57 g/mol |
| Molecular Formula | C29H42Cl2N2O5 |
| Exact Mass | 568.247078 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | AeAMh8pRpUz |
|---|---|
| Name | (+)-Emetine dihydrochloride hydrate |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 219282 |
| CAS Registry Number | 313222-95-6 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H42Cl2N2O5 |
| InChI | InChI=1S/C29H40N2O4.2Cl.H2O/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;;;/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3;;;1H2/t18-,21-,24+,25-;;;/m1.../s1 |
| InChIKey | MNGUZNISBXGNPO-MZRUSFJHSA-N |
| Observed nucleus | 13C |
| Purity | 97% |
| Solvent | CDCl3 & DMSO-d6 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Wiley ID | SIAL_13CNMR_003190 |