| SpectraBase Compound ID | ELhmil8CSZi |
|---|---|
| InChI | InChI=1S/C27H46N3O9PSSi/c1-15(2)30-13-18-21(22-24(35-18)37-27(7,8)36-22)39-40(30,41)38-17-11-20(29-12-16(3)23(31)28-25(29)32)34-19(17)14-33-42(9,10)26(4,5)6/h12,15,17-22,24H,11,13-14H2,1-10H3,(H,28,31,32)/t17-,18-,19+,20+,21+,22-,24-,40?/m0/s1 |
| InChIKey | CTIMCJJQDSNEHM-RQPDKFNBSA-N |
| Mol Weight | 647.8 g/mol |
| Molecular Formula | C27H46N3O9PSSi |
| Exact Mass | 647.246165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8r3lyiDvzs3 |
|---|---|
| Name | CTIMCJJQDSNEHM-RQPDKFNBSA-N |
| Compound Number | 19A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H46N3O9PSSi |
| InChI | InChI=1S/C27H46N3O9PSSi/c1-15(2)30-13-18-21(22-24(35-18)37-27(7,8)36-22)39-40(30,41)38-17-11-20(29-12-16(3)23(31)28-25(29)32)34-19(17)14-33-42(9,10)26(4,5)6/h12,15,17-22,24H,11,13-14H2,1-10H3,(H,28,31,32)/t17-,18-,19+,20+,21+,22-,24-,40?/m0/s1 |
| InChIKey | CTIMCJJQDSNEHM-RQPDKFNBSA-N |
| Literature Reference Author | Y.JIN,G.JUST |
| Literature Reference Citation | J.ORG.CHEM.,63,3647(1998) |
| Literature Reference DOI | 10.1021/jo972318o |
| Molecular Weight | 647.796 g/mol |
| Sample ID | 37267 |
| Solvent | CDCl3 |