| SpectraBase Compound ID | 11c5r89lFgf |
|---|---|
| InChI | InChI=1S/C54H72N6O8S4/c1-33-11-23-45(24-12-33)69(61,62)57-51-37(5)49(38(6)52(41(51)9)58-70(63,64)46-25-13-34(2)14-26-46)55-31-43-19-21-44(22-20-43)32-56-50-39(7)53(59-71(65,66)47-27-15-35(3)16-28-47)42(10)54(40(50)8)60-72(67,68)48-29-17-36(4)18-30-48/h11-30,37-42,49-60H,31-32H2,1-10H3/t37-,38+,39-,40+,41-,42-,49+,50+,51-,52+,53-,54+ |
| InChIKey | QYLKIBBLOCGPSX-NVRSBNDRSA-N |
| Mol Weight | 1061.4 g/mol |
| Molecular Formula | C54H72N6O8S4 |
| Exact Mass | 1060.429448 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6WUesO6Xcww |
|---|---|
| Name | TETRATOSYLAMIDE |
| Compound Number | 13A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H72N6O8S4 |
| InChI | InChI=1S/C54H72N6O8S4/c1-33-11-23-45(24-12-33)69(61,62)57-51-37(5)49(38(6)52(41(51)9)58-70(63,64)46-25-13-34(2)14-26-46)55-31-43-19-21-44(22-20-43)32-56-50-39(7)53(59-71(65,66)47-27-15-35(3)16-28-47)42(10)54(40(50)8)60-72(67,68)48-29-17-36(4)18-30-48/h11-30,37-42,49-60H,31-32H2,1-10H3/t37-,38+,39-,40+,41-,42-,49+,50+,51-,52+,53-,54+ |
| InChIKey | QYLKIBBLOCGPSX-NVRSBNDRSA-N |
| Literature Reference Author | D.PARKER,K.SENANAYAKE,J.VEPSAILAINEN,S.WILLIAMS,A.S.BATSANOV ,J.A.K.HOWARD |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-2,1445(1997) |
| Literature Reference DOI | 10.1039/a701364g |
| Molecular Weight | 1061.441 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU6234 |