![N-Octadecyl-N'-6-[N-aziridyl]hexylthiourea](/api/spectrum/X4oTObPVkb/structure.png?h=300&w=458 "N-Octadecyl-N'-6-[N-aziridyl]hexylthiourea")
| SpectraBase Compound ID | LSYkTIozrr6 |
|---|---|
| InChI | InChI=1S/C27H55N3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-28-27(31)29-23-20-17-18-21-24-30-25-26-30/h2-26H2,1H3,(H2,28,29,31) |
| InChIKey | XYAHRRIKLYKVPF-UHFFFAOYSA-N |
| Mol Weight | 453.8 g/mol |
| Molecular Formula | C27H55N3S |
| Exact Mass | 453.41167 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | X4oTObPVkb |
|---|---|
| Name | N-Octadecyl-N'-6-[N-aziridyl]hexylthiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 453.411669957 u |
| Formula | C27H55N3S |
| InChI | InChI=1S/C27H55N3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-28-27(31)29-23-20-17-18-21-24-30-25-26-30/h2-26H2,1H3,(H2,28,29,31) |
| InChIKey | XYAHRRIKLYKVPF-UHFFFAOYSA-N |
| Molecular Weight | 453.818 g/mol |
| SMILES | CCCCCCCCCCCCCCCCCCNC(NCCCCCCN1CC1)=S |