| SpectraBase Spectrum ID |
4O56byLremX |
| Name |
4-Methyl-3-oxo-5-phenyl-3,4,7,8-tetrahydro-2H-1,4-thiazocin-7-(p-iodophenyl)amide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
478.021194032 u |
| Formula |
C20H19IN2O2S |
| InChI |
InChI=1S/C20H19IN2O2S/c1-23-18(14-5-3-2-4-6-14)11-15(12-26-13-19(23)24)20(25)22-17-9-7-16(21)8-10-17/h2-11,15H,12-13H2,1H3,(H,22,25)/b18-11- |
| InChIKey |
LMKYQCLNLOFHAY-WQRHYEAKSA-N |
| Molecular Weight |
478.348 g/mol |
| SMILES |
C1(N(\C(=C/C(CSC1)C(NC1=CC=C(C=C1)I)=O)C=1C=CC=CC1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964782 |
