| SpectraBase Compound ID | LAWV1AcTtBG |
|---|---|
| InChI | InChI=1S/C28H37NO4S/c1-6-18-29(34(31,32)24-15-12-21(2)13-16-24)20-27(30)33-26-19-22(3)14-17-25(26)28(4,5)23-10-8-7-9-11-23/h6-13,15-16,22,25-26H,1,14,17-20H2,2-5H3/t22?,25?,26-/m0/s1 |
| InChIKey | KLZNPPRARHPROJ-BOPKNSRXSA-N |
| Mol Weight | 483.7 g/mol |
| Molecular Formula | C28H37NO4S |
| Exact Mass | 483.24433 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 | 7nK0noxKz92 |
|---|---|
| Name | (S)-N-Tosylallylglycine 8-(R)-phenylmenthyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 483.244329845 u |
| Formula | C28H37NO4S |
| InChI | InChI=1S/C28H37NO4S/c1-6-18-29(34(31,32)24-15-12-21(2)13-16-24)20-27(30)33-26-19-22(3)14-17-25(26)28(4,5)23-10-8-7-9-11-23/h6-13,15-16,22,25-26H,1,14,17-20H2,2-5H3/t22?,25?,26-/m0/s1 |
| InChIKey | KLZNPPRARHPROJ-BOPKNSRXSA-N |
| Molecular Weight | 483.667 g/mol |
| SMILES | C(N(S(C=1C=CC(=CC1)C)(=O)=O)CC=C)C(O[C@@]1(C(C(C=2C=CC=CC2)(C)C)CCC(C1)C)[H])=O |