| SpectraBase Compound ID | BbFztHogWiO |
|---|---|
| InChI | InChI=1S/C20H28N2O5S/c1-12-6-8-14(9-7-12)28(25,26)22-18(24)21-16-15-10-11-20(5,19(15,3)4)17(16)27-13(2)23/h6-9,15-17H,10-11H2,1-5H3,(H2,21,22,24)/t15-,16-,17+,20+/m1/s1 |
| InChIKey | UIUAVYZRMNXRKR-WWNBULGVSA-N |
| Mol Weight | 408.51 g/mol |
| Molecular Formula | C20H28N2O5S |
| Exact Mass | 408.171893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1NKDmhPL5Z1 |
|---|---|
| Name | Glibornuride ac P1471 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 408.171893179 u |
| Formula | C20H28N2O5S |
| InChI | InChI=1S/C20H28N2O5S/c1-12-6-8-14(9-7-12)28(25,26)22-18(24)21-16-15-10-11-20(5,19(15,3)4)17(16)27-13(2)23/h6-9,15-17H,10-11H2,1-5H3,(H2,21,22,24)/t15-,16-,17+,20+/m1/s1 |
| InChIKey | UIUAVYZRMNXRKR-WWNBULGVSA-N |
| Molecular Weight | 408.513 g/mol |
| SMILES | C1(=CC=C(C=C1)C)S(NC(N[C@]1(C(OC(C)=O)[C@@]2(C)C([C@@]1(CC2)[H])(C)C)[H])=O)(=O)=O |