| SpectraBase Compound ID | 8xXGB8FP1By |
|---|---|
| InChI | InChI=1S/C22H26F3N3O6/c1-4-34-18(30)16(11-8-12-28-13-14(2)17(29)27-20(28)32)26-19(31)21(33-3,22(23,24)25)15-9-6-5-7-10-15/h5-7,9-10,13,16H,4,8,11-12H2,1-3H3,(H,26,31)(H,27,29,32)/t16-,21?/m0/s1 |
| InChIKey | ZWTOLNWQDDYKCM-BJQOMGFOSA-N |
| Mol Weight | 485.46 g/mol |
| Molecular Formula | C22H26F3N3O6 |
| Exact Mass | 485.17737 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 | KT6HjB3pEhn |
|---|---|
| Name | Ethyl (2S)-Amino-5-(1-thyminyl)pentanoate (S)-MTPA amide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H26F3N3O6 |
| InChI | InChI=1S/C22H26F3N3O6/c1-4-34-18(30)16(11-8-12-28-13-14(2)17(29)27-20(28)32)26-19(31)21(33-3,22(23,24)25)15-9-6-5-7-10-15/h5-7,9-10,13,16H,4,8,11-12H2,1-3H3,(H,26,31)(H,27,29,32)/t16-,21?/m0/s1 |
| InChIKey | ZWTOLNWQDDYKCM-BJQOMGFOSA-N |
| Molecular Weight | 485.460 g/mol |
| SMILES | N1C(C(=CN(CCC[C@](NC(C(C(F)(F)F)(c2ccccc2)OC)=O)(C(=O)OCC)[H])C1=O)C)=O |
| SPLASH | splash10-059b-0690000000-09082efb68b521c5b93a |
| Source of Spectrum | KC-57-6554-27 |
| Wiley ID | 1625241 |