| SpectraBase Spectrum ID |
396d8F3UHBG |
| Name |
3-{(E)-[(2E)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenyl benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.088163554 u |
| Formula |
C23H16N2O3S |
| InChI |
InChI=1S/C23H16N2O3S/c26-21-20(29-23(25-21)24-18-11-5-2-6-12-18)15-16-8-7-13-19(14-16)28-22(27)17-9-3-1-4-10-17/h1-15H,(H,24,25,26)/b20-15+ |
| InChIKey |
YNJJTBCRYMMDDE-HMMYKYKNSA-N |
| Molecular Weight |
400.452 g/mol |
| SMILES |
C1(N\C(S\C1=C/C=1C=C(C=CC1)OC(=O)C=1C=CC=CC1)=N/C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.82946 |
![3-{(E)-[(2E)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenyl benzoate](/api/spectrum/396d8F3UHBG/structure.png?h=300&w=458 "3-{(E)-[(2E)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}phenyl benzoate")
