| SpectraBase Compound ID | 5zlc9X7Bm2g |
|---|---|
| InChI | InChI=1S/C23H28F3N3O6/c1-4-35-19(31)17(12-8-9-13-29-14-15(2)18(30)28-21(29)33)27-20(32)22(34-3,23(24,25)26)16-10-6-5-7-11-16/h5-7,10-11,14,17H,4,8-9,12-13H2,1-3H3,(H,27,32)(H,28,30,33)/t17-,22?/m0/s1 |
| InChIKey | SOMVXKVGKPTJHR-LBOXEOMUSA-N |
| Mol Weight | 499.49 g/mol |
| Molecular Formula | C23H28F3N3O6 |
| Exact Mass | 499.19302 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DM6LbRYHqls |
|---|---|
| Name | Ethyl (2S)-Amino-6-(1-thyminyl)hexanoate (S)-MTPA amide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H28F3N3O6 |
| InChI | InChI=1S/C23H28F3N3O6/c1-4-35-19(31)17(12-8-9-13-29-14-15(2)18(30)28-21(29)33)27-20(32)22(34-3,23(24,25)26)16-10-6-5-7-11-16/h5-7,10-11,14,17H,4,8-9,12-13H2,1-3H3,(H,27,32)(H,28,30,33)/t17-,22?/m0/s1 |
| InChIKey | SOMVXKVGKPTJHR-LBOXEOMUSA-N |
| Molecular Weight | 499.487 g/mol |
| SMILES | N1C(C(=CN(CCCC[C@](NC(C(C(F)(F)F)(c2ccccc2)OC)=O)(C(=O)OCC)[H])C1=O)C)=O |
| SPLASH | splash10-0092-0006910000-a94b04e11ed8476daed0 |
| Source of Spectrum | KC-57-6554-27 |
| Wiley ID | 1625240 |