| SpectraBase Spectrum ID |
4oFk9y37Ei0 |
| Name |
2-{[1,1,1,3,3,3-Hexafluoro-2-(pyridin-3-ylformamido)propan-2-yl]sulfanyl}-N-phenylacetamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
437.063266821 u |
| Formula |
C17H13F6N3O2S |
| InChI |
InChI=1S/C17H13F6N3O2S/c18-16(19,20)15(17(21,22)23,26-14(28)11-5-4-8-24-9-11)29-10-13(27)25-12-6-2-1-3-7-12/h1-9H,10H2,(H,25,27)(H,26,28) |
| InChIKey |
RSXYGVAXAPKLRP-UHFFFAOYSA-N |
| Molecular Weight |
437.360 g/mol |
| SMILES |
C(=O)(C=1C=CC=NC1)NC(C(F)(F)F)(C(F)(F)F)SCC(NC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881612 |
![2-{[1,1,1,3,3,3-hexafluoro-2-(pyridin-3-ylformamido)propan-2-yl]sulfanyl}-N-phenylacetamide](/api/spectrum/4oFk9y37Ei0/structure.png?h=300&w=458 "2-{[1,1,1,3,3,3-hexafluoro-2-(pyridin-3-ylformamido)propan-2-yl]sulfanyl}-N-phenylacetamide")
