| SpectraBase Compound ID | G5A7ojyKp3k |
|---|---|
| InChI | InChI=1S/C21H27F3N2O7/c1-13(16(28)31-5)25-15(27)11-20(21(22,23)24,17(29)33-19(2,3)4)26-18(30)32-12-14-9-7-6-8-10-14/h6-10,13H,11-12H2,1-5H3,(H,25,27)(H,26,30)/t13-,20?/m0/s1 |
| InChIKey | OQENXVNHXHZTOQ-SZQRVLIRSA-N |
| Mol Weight | 476.45 g/mol |
| Molecular Formula | C21H27F3N2O7 |
| Exact Mass | 476.177036 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HxcZKz9RxEa |
|---|---|
| Name | t-Butyl N-benzyloxycarbonyl-2-trifluoromethyl-.beta.-aspartyl(.alpha.-methylester)-S-alaninate isomer |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H27F3N2O7 |
| InChI | InChI=1S/C21H27F3N2O7/c1-13(16(28)31-5)25-15(27)11-20(21(22,23)24,17(29)33-19(2,3)4)26-18(30)32-12-14-9-7-6-8-10-14/h6-10,13H,11-12H2,1-5H3,(H,25,27)(H,26,30)/t13-,20?/m0/s1 |
| InChIKey | OQENXVNHXHZTOQ-SZQRVLIRSA-N |
| Molecular Weight | 476.449 g/mol |
| SMILES | N(C(CC(C(OC(C)(C)C)=O)(C(F)(F)F)NC(=O)OCc1ccccc1)=O)[C@](C(=O)OC)(C)[H] |
| SPLASH | splash10-0006-9001000000-83a7779b41bc1d0026f4 |
| Source of Spectrum | KC-1992-272-16 |
| Wiley ID | 776006 |