| SpectraBase Compound ID | LMYwg8AxjKM |
|---|---|
| InChI | InChI=1S/C26H27F3N2O7/c1-36-23(34)25(26(27,28)29,30-24(35)38-17-19-11-6-3-7-12-19)15-21(32)31-14-8-13-20(31)22(33)37-16-18-9-4-2-5-10-18/h2-7,9-12,20H,8,13-17H2,1H3,(H,30,35)/t20-,25+/m0/s1 |
| InChIKey | IGNFHUZBFVANOS-NBGIEHNGSA-N |
| Mol Weight | 536.5 g/mol |
| Molecular Formula | C26H27F3N2O7 |
| Exact Mass | 536.177036 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8MfeBBGhc2t |
|---|---|
| Name | Benzyl N-benzyloxycarbonyl-R-2-trifluoromethyl-.beta.-aspartyl-(.alpha.methylester)-S-prolinate isomer |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H27F3N2O7 |
| InChI | InChI=1S/C26H27F3N2O7/c1-36-23(34)25(26(27,28)29,30-24(35)38-17-19-11-6-3-7-12-19)15-21(32)31-14-8-13-20(31)22(33)37-16-18-9-4-2-5-10-18/h2-7,9-12,20H,8,13-17H2,1H3,(H,30,35)/t20-,25+/m0/s1 |
| InChIKey | IGNFHUZBFVANOS-NBGIEHNGSA-N |
| Molecular Weight | 536.504 g/mol |
| SMILES | N([C@@](CC(N1[C@](C(OCc2ccccc2)=O)(CCC1)[H])=O)(C(F)(F)F)C(=O)OC)C(=O)OCc1ccccc1 |
| SPLASH | splash10-00dl-9000000000-be612277382c1c66052e |
| Source of Spectrum | KC-1992-272-19 |
| Wiley ID | 776002 |