![N-Benzyl-N'-[2-(4(5)-imidazolyl)ethyl]thiourea oxalate](/api/spectrum/B9zQfl01L3/structure.png?h=300&w=458 "N-Benzyl-N'-[2-(4(5)-imidazolyl)ethyl]thiourea oxalate")
| SpectraBase Compound ID | 69kidpXuDym |
|---|---|
| InChI | InChI=1S/C13H16N4S/c18-13(15-7-6-12-9-14-10-17-12)16-8-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2,(H,14,17)(H2,15,16,18) |
| InChIKey | MLWQZBVRIPGENZ-UHFFFAOYSA-N |
| Mol Weight | 260.36 g/mol |
| Molecular Formula | C13H16N4S |
| Exact Mass | 260.109568 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B9zQfl01L3 |
|---|---|
| Name | N-Benzyl-N'-[2-(4(5)-imidazolyl)ethyl]thiourea oxalate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.109567705 u |
| Formula | C13H16N4S |
| InChI | InChI=1S/C13H16N4S/c18-13(15-7-6-12-9-14-10-17-12)16-8-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2,(H,14,17)(H2,15,16,18) |
| InChIKey | MLWQZBVRIPGENZ-UHFFFAOYSA-N |
| SMILES | C=1(N=CNC1)CCNC(=S)NCC1=CC=CC=C1 |