| SpectraBase Compound ID | LyLWE16tCxg |
|---|---|
| InChI | InChI=1S/C20H20N2O6/c1-13-9-10-15(19(23)21-11-5-8-16(21)20(24)25)17(22(26)27)18(13)28-12-14-6-3-2-4-7-14/h2-4,6-7,9-10,16H,5,8,11-12H2,1H3,(H,24,25)/t16-/m0/s1 |
| InChIKey | FXMTWQRISLIBGW-INIZCTEOSA-N |
| Mol Weight | 384.39 g/mol |
| Molecular Formula | C20H20N2O6 |
| Exact Mass | 384.132136 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CTsJKpV66w9 |
|---|---|
| Name | (2S)-N-((3-benzyloxy)-4-methyl-2-nitrobenzoyl)proline |
| CAS Registry Number | 18944-44-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H20N2O6 |
| InChI | InChI=1S/C20H20N2O6/c1-13-9-10-15(19(23)21-11-5-8-16(21)20(24)25)17(22(26)27)18(13)28-12-14-6-3-2-4-7-14/h2-4,6-7,9-10,16H,5,8,11-12H2,1H3,(H,24,25)/t16-/m0/s1 |
| InChIKey | FXMTWQRISLIBGW-INIZCTEOSA-N |
| Molecular Weight | 384.388 g/mol |
| SMILES | OC([C@]1(N(C(c2c([N+]([O-])=O)c(OCc3ccccc3)c(cc2)C)=O)CCC1)[H])=O |
| SPLASH | splash10-0a4u-6390000000-c16a08d74ccd8c2d9cd4 |
| Source of Spectrum | J-51-710-0 |
| Wiley ID | 1361462 |