| SpectraBase Compound ID | 913HiSUwQTy |
|---|---|
| InChI | InChI=1S/C14H16N4O2S/c1-8-2-3-10(21-8)5-12-14(20)17-11(13(19)18-12)4-9-6-15-7-16-9/h2-3,6-7,11-12H,4-5H2,1H3,(H,15,16)(H,17,20)(H,18,19)/t11-,12-/m0/s1 |
| InChIKey | LNMOSITXHNZAEM-RYUDHWBXSA-N |
| Mol Weight | 304.37 g/mol |
| Molecular Formula | C14H16N4O2S |
| Exact Mass | 304.099397 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BUAjArB4whA |
|---|---|
| Name | (3S,CIS)-1'-H-3-(4-IMIDAZOLYLMETHYL)-6-((5-METHYL-2-THIENYL)-METHYL)-PIPERAZIN-2,5-DIONE |
| Compound Number | 8F |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C14H16N4O2S |
| InChI | InChI=1S/C14H16N4O2S/c1-8-2-3-10(21-8)5-12-14(20)17-11(13(19)18-12)4-9-6-15-7-16-9/h2-3,6-7,11-12H,4-5H2,1H3,(H,15,16)(H,17,20)(H,18,19)/t11-,12-/m0/s1 |
| InChIKey | LNMOSITXHNZAEM-RYUDHWBXSA-N |
| Literature Reference Author | C.R.NOE,A.WEIGAND,S.PIRKER |
| Literature Reference Citation | MH.CHEM.,127,1081(1996) |
| Literature Reference DOI | 10.1007/BF00807581 |
| Molecular Weight | 304.367 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ726 |