| SpectraBase Spectrum ID |
4XTEMo3TlZv |
| Name |
2-Piperazinecarboxaldehyde, 1,4-dimethyl-2-[(4-methylphenyl)thio]-3,6-dioxo-, (.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.088163554 u |
| Formula |
C14H16N2O3S |
| InChI |
InChI=1S/C14H16N2O3S/c1-10-4-6-11(7-5-10)20-14(9-17)13(19)15(2)8-12(18)16(14)3/h4-7,9H,8H2,1-3H3 |
| InChIKey |
MIDUBKHAGTVKAC-UHFFFAOYSA-N |
| Molecular Weight |
292.353 g/mol |
| SMILES |
C1(N(C(=O)CN(C1=O)C)C)(SC=1C=CC(=CC1)C)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.80537 |
![2-Piperazinecarboxaldehyde, 1,4-dimethyl-2-[(4-methylphenyl)thio]-3,6-dioxo-, (.+-.)-](/api/spectrum/4XTEMo3TlZv/structure.png?h=300&w=458 "2-Piperazinecarboxaldehyde, 1,4-dimethyl-2-[(4-methylphenyl)thio]-3,6-dioxo-, (.+-.)-")
