| SpectraBase Compound ID | Lsj7Fpgfwsr |
|---|---|
| InChI | InChI=1S/C33H35F6N3O8/c1-5-50-26(44)24(18-12-13-19-41-20-21(2)25(43)40-29(41)47)42(27(45)30(48-3,32(34,35)36)22-14-8-6-9-15-22)28(46)31(49-4,33(37,38)39)23-16-10-7-11-17-23/h6-11,14-17,20,24H,5,12-13,18-19H2,1-4H3,(H,40,43,47)/t24-,30?,31?/m0/s1 |
| InChIKey | XCAPOFGKPXAJOK-BXMMRICASA-N |
| Mol Weight | 715.6 g/mol |
| Molecular Formula | C33H35F6N3O8 |
| Exact Mass | 715.232834 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6cpi2Ibu6vt |
|---|---|
| Name | Ethyl (2S)-Amino-6-(1-thyminyl)hexanoate (S)-MTPA diamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H35F6N3O8 |
| InChI | InChI=1S/C33H35F6N3O8/c1-5-50-26(44)24(18-12-13-19-41-20-21(2)25(43)40-29(41)47)42(27(45)30(48-3,32(34,35)36)22-14-8-6-9-15-22)28(46)31(49-4,33(37,38)39)23-16-10-7-11-17-23/h6-11,14-17,20,24H,5,12-13,18-19H2,1-4H3,(H,40,43,47)/t24-,30?,31?/m0/s1 |
| InChIKey | XCAPOFGKPXAJOK-BXMMRICASA-N |
| Molecular Weight | 715.646 g/mol |
| SMILES | N1C(C(=CN(C1=O)CCCC[C@](N(C(C(C(F)(F)F)(c1ccccc1)OC)=O)C(C(C(F)(F)F)(c1ccccc1)OC)=O)(C(=O)OCC)[H])C)=O |
| SPLASH | splash10-014i-0034290000-281ec15945565f6e9fdc |
| Source of Spectrum | KC-57-6554-0 |
| Wiley ID | 1625239 |