| SpectraBase Spectrum ID |
AjYYAlmGmfV |
| Name |
(S)-1-((2,6-Difluorobenzoyl)-L-prolyl)-N-((R)-1-phenylethyl)pyrrolidine-2-carboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
455.202048064 u |
| Formula |
C25H27F2N3O3 |
| InChI |
InChI=1S/C25H27F2N3O3/c1-16(17-8-3-2-4-9-17)28-23(31)20-12-6-14-29(20)24(32)21-13-7-15-30(21)25(33)22-18(26)10-5-11-19(22)27/h2-5,8-11,16,20-21H,6-7,12-15H2,1H3,(H,28,31)/t16-,20+,21+/m1/s1 |
| InChIKey |
UEDUIORFPZEWOX-CZAAIQMYSA-N |
| Molecular Weight |
455.506 g/mol |
| SMILES |
[C@]1(N(CCC1)C([C@]1(N(CCC1)C(C1=C(C=CC=C1F)F)=O)[H])=O)(C(=O)N[C@](C)(C1=CC=CC=C1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947316 |
