| SpectraBase Spectrum ID |
BazYkFfLAIO |
| Name |
cis-3,6-di(Acetylthio)-1,4-dibutylpiperazine-2,5-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.133399669 u |
| Formula |
C16H26N2O4S2 |
| InChI |
InChI=1S/C16H26N2O4S2/c1-5-7-9-17-13(21)16(24-12(4)20)18(10-8-6-2)14(22)15(17)23-11(3)19/h15-16H,5-10H2,1-4H3/t15-,16-/m0/s1 |
| InChIKey |
ZYZYPMHBQTXNNR-HOTGVXAUSA-N |
| Molecular Weight |
374.514 g/mol |
| SMILES |
[C@@]1(N(C([C@@](N(C1=O)CCCC)(SC(=O)C)[H])=O)CCCC)(SC(=O)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877224 |
