![6-Hydroxy-1-azabicyclo[3.3.0]octan-3-en-4-yl 2-(methylthiomethoxy)-2,3-dimethyl-5-carboxyhept-5-enoate](/api/spectrum/ET1q9anec8J/structure.png?h=300&w=458 "6-Hydroxy-1-azabicyclo[3.3.0]octan-3-en-4-yl 2-(methylthiomethoxy)-2,3-dimethyl-5-carboxyhept-5-enoate")
| SpectraBase Compound ID | JmjuhVf95uD |
|---|---|
| InChI | InChI=1S/C20H31NO6S/c1-5-14(18(23)24)10-13(2)20(3,27-12-28-4)19(25)26-11-15-6-8-21-9-7-16(22)17(15)21/h5-6,13,16-17,22H,7-12H2,1-4H3,(H,23,24)/b14-5+/t13-,16-,17-,20-/m1/s1 |
| InChIKey | HQWCKQWMUODDSZ-YPVPIWALSA-N |
| Mol Weight | 413.53 g/mol |
| Molecular Formula | C20H31NO6S |
| Exact Mass | 413.187209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | ET1q9anec8J |
|---|---|
| Name | 6-Hydroxy-1-azabicyclo[3.3.0]octan-3-en-4-yl 2-(methylthiomethoxy)-2,3-dimethyl-5-carboxyhept-5-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 413.187208890 u |
| Formula | C20H31NO6S |
| InChI | InChI=1S/C20H31NO6S/c1-5-14(18(23)24)10-13(2)20(3,27-12-28-4)19(25)26-11-15-6-8-21-9-7-16(22)17(15)21/h5-6,13,16-17,22H,7-12H2,1-4H3,(H,23,24)/b14-5+/t13-,16-,17-,20-/m1/s1 |
| InChIKey | HQWCKQWMUODDSZ-YPVPIWALSA-N |
| Molecular Weight | 413.529 g/mol |
| SMILES | C=1([C@]2(N(CC[C@]2(O)[H])CC1)[H])COC([C@@]([C@@](C\C(C(=O)O)=C/C)(C)[H])(OCSC)C)=O |