![1-Ethyl-3-[2-(octadecylthio)ethyl]thiourea](/api/spectrum/AM85CPn7ZCA/structure.png?h=300&w=458 "1-Ethyl-3-[2-(octadecylthio)ethyl]thiourea")
| SpectraBase Compound ID | JXqih9nr9fZ |
|---|---|
| InChI | InChI=1S/C23H48N2S2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-27-22-20-25-23(26)24-4-2/h3-22H2,1-2H3,(H2,24,25,26) |
| InChIKey | RJFGAGAVSJJEOE-UHFFFAOYSA-N |
| Mol Weight | 416.8 g/mol |
| Molecular Formula | C23H48N2S2 |
| Exact Mass | 416.325892 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AM85CPn7ZCA |
|---|---|
| Name | 1-Ethyl-3-[2-(octadecylthio)ethyl]thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 416.325891902 u |
| Formula | C23H48N2S2 |
| InChI | InChI=1S/C23H48N2S2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-27-22-20-25-23(26)24-4-2/h3-22H2,1-2H3,(H2,24,25,26) |
| InChIKey | RJFGAGAVSJJEOE-UHFFFAOYSA-N |
| Molecular Weight | 416.771 g/mol |
| SMILES | C(=S)(NCC)NCCSCCCCCCCCCCCCCCCCCC |