![N-Isopropyl-N'-[3-(4(5)-imidazolyl)propyl]thiourea oxalate](/api/spectrum/3xoCcRS1pdo/structure.png?h=300&w=458 "N-Isopropyl-N'-[3-(4(5)-imidazolyl)propyl]thiourea oxalate")
| SpectraBase Compound ID | 6FV2hg5IOd8 |
|---|---|
| InChI | InChI=1S/C10H18N4S/c1-8(2)14-10(15)12-5-3-4-9-6-11-7-13-9/h6-8H,3-5H2,1-2H3,(H,11,13)(H2,12,14,15) |
| InChIKey | IBEDDWFKTGPOKV-UHFFFAOYSA-N |
| Mol Weight | 226.34 g/mol |
| Molecular Formula | C10H18N4S |
| Exact Mass | 226.125218 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3xoCcRS1pdo |
|---|---|
| Name | N-Isopropyl-N'-[3-(4(5)-imidazolyl)propyl]thiourea oxalate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.125217770 u |
| Formula | C10H18N4S |
| InChI | InChI=1S/C10H18N4S/c1-8(2)14-10(15)12-5-3-4-9-6-11-7-13-9/h6-8H,3-5H2,1-2H3,(H,11,13)(H2,12,14,15) |
| InChIKey | IBEDDWFKTGPOKV-UHFFFAOYSA-N |
| Molecular Weight | 226.342 g/mol |
| SMILES | C(NC(C)C)(=S)NCCCC=1N=CNC1 |