| SpectraBase Spectrum ID |
GVNFOrPJtVr |
| Name |
2-(4-Acetyl-1-piperazinyl)-5-(2-isopropoxybenzylidene)-1,3-thiazol-4(5H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
373.146012784 u |
| Formula |
C19H23N3O3S |
| InChI |
InChI=1S/C19H23N3O3S/c1-13(2)25-16-7-5-4-6-15(16)12-17-18(24)20-19(26-17)22-10-8-21(9-11-22)14(3)23/h4-7,12-13H,8-11H2,1-3H3/b17-12+ |
| InChIKey |
FTVNSAHXZJYTGF-SFQUDFHCSA-N |
| Molecular Weight |
373.471 g/mol |
| SMILES |
C=1C=CC(\C=C/2C(N=C(S2)N2CCN(CC2)C(=O)C)=O)=C(OC(C)C)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935308 |
