| SpectraBase Spectrum ID |
G8ZgutMnmq5 |
| Name |
(Z)-(5-Ethoxycarbonylmethyl-4-oxothiazolidin-2-ylidene)-1-phenyl-2-bromoethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.982692105 u |
| Formula |
C15H14BrNO4S |
| InChI |
InChI=1S/C15H14BrNO4S/c1-2-21-11(18)8-10-14(20)17-15(22-10)12(16)13(19)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,17,20)/b15-12- |
| InChIKey |
TUHCKMBQYPQTLI-QINSGFPZSA-N |
| Molecular Weight |
384.244 g/mol |
| SMILES |
C(\C(=C/1NC(=O)C(S1)CC(=O)OCC)Br)(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854122 |
