| SpectraBase Spectrum ID |
FXgfrKs22Z0 |
| Name |
N-Benzyl-4-(3-fluorobenzyl)-3-methyl-5-oxothiomorpholine-3-carboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.130777259 u |
| Formula |
C20H21FN2O2S |
| InChI |
InChI=1S/C20H21FN2O2S/c1-20(19(25)22-11-15-6-3-2-4-7-15)14-26-13-18(24)23(20)12-16-8-5-9-17(21)10-16/h2-10H,11-14H2,1H3,(H,22,25) |
| InChIKey |
IUTJCIBYGIMQFU-UHFFFAOYSA-N |
| Molecular Weight |
372.458 g/mol |
| SMILES |
C1(N(C(CSC1)=O)CC1=CC(=CC=C1)F)(C(=O)NCC1=CC=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890517 |
