| SpectraBase Compound ID | 7uNyVAAUrHL |
|---|---|
| InChI | InChI=1S/C23H26N2O4.H2O4S.7H2O/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;1-5(2,3)4;;;;;;;/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;(H2,1,2,3,4);7*1H2/t13-,18-,19-,21-,22-,23+;;;;;;;;/m0......../s1 |
| InChIKey | GKMNADXKDGDKNA-CSIATQOSSA-N |
| Mol Weight | 618.648 g/mol |
| Molecular Formula | C23H42N2O15S |
| Exact Mass | 618.23059 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | F4NaRS4z1Qy |
|---|---|
| Name | Brucine sulfate heptahydrate |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 237868 |
| CAS Registry Number | 60583-39-3 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H42N2O15S |
| InChI | InChI=1S/C23H26N2O4.H2O4S.7H2O/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;1-5(2,3)4;;;;;;;/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;(H2,1,2,3,4);7*1H2/t13-,18-,19-,21-,22-,23+;;;;;;;;/m0......../s1 |
| InChIKey | GKMNADXKDGDKNA-CSIATQOSSA-N |
| Observed nucleus | 13C |
| Purity | 99%, A.C.S. Reagent |
| Solvent | DMSO-d6 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Wiley ID | SIAL_13CNMR_003796 |