| SpectraBase Spectrum ID |
6eyqex3UmBa |
| Name |
3-Oxidanylidene-3-[(4S)-2-oxidanylidene-4-(phenylmethyl)-1,3-oxazolidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.114041520 u |
| Formula |
C20H17F3N2O4 |
| InChI |
InChI=1S/C20H17F3N2O4/c21-20(22,23)14-6-8-15(9-7-14)24-17(26)11-18(27)25-16(12-29-19(25)28)10-13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H,24,26)/t16-/m0/s1 |
| InChIKey |
NQBRZNBPOJMWJY-INIZCTEOSA-N |
| Molecular Weight |
406.361 g/mol |
| SMILES |
C(N1C(OC[C@@]1(CC=1C=CC=CC1)[H])=O)(CC(NC=1C=CC(C(F)(F)F)=CC1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918772 |
![3-Oxidanylidene-3-[(4S)-2-oxidanylidene-4-(phenylmethyl)-1,3-oxazolidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide](/api/spectrum/6eyqex3UmBa/structure.png?h=300&w=458 "3-Oxidanylidene-3-[(4S)-2-oxidanylidene-4-(phenylmethyl)-1,3-oxazolidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide")
