| SpectraBase Spectrum ID |
7YX1ClP0AsP |
| Name |
(E)-3-(2-Aminoethyl)-5-(4-(dimethylamino)benzylidene)thiazolidine-2,4-dione, N-acetyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.114712655 u |
| Formula |
C16H19N3O3S |
| InChI |
InChI=1S/C16H19N3O3S/c1-11(20)17-8-9-19-15(21)14(23-16(19)22)10-12-4-6-13(7-5-12)18(2)3/h4-7,10H,8-9H2,1-3H3,(H,17,20)/b14-10+ |
| InChIKey |
BMCMPZVCIIMNTJ-GXDHUFHOSA-N |
| Molecular Weight |
333.406 g/mol |
| SMILES |
C1(S\C(C(N1CCNC(=O)C)=O)=C/C1=CC=C(C=C1)N(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930026 |
