| SpectraBase Compound ID | HTAx8x1N6JU |
|---|---|
| InChI | InChI=1S/C15H26N2S/c1-14(2,3)16-13(18)17-15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,4-9H2,1-3H3,(H2,16,17,18)/t10-,11+,12-,15- |
| InChIKey | NPKKBRRDRRGAMP-WUQLGEGHSA-N |
| Mol Weight | 266.45 g/mol |
| Molecular Formula | C15H26N2S |
| Exact Mass | 266.18167 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8fZZeQ22IhT |
|---|---|
| Name | 3-T-Butyl-1-adamantyl thiourea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.181670019 u |
| Formula | C15H26N2S |
| InChI | InChI=1S/C15H26N2S/c1-14(2,3)16-13(18)17-15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,4-9H2,1-3H3,(H2,16,17,18)/t10-,11+,12-,15- |
| InChIKey | NPKKBRRDRRGAMP-WUQLGEGHSA-N |
| Molecular Weight | 266.447 g/mol |
| SMILES | C1[C@]2(CC3(C[C@@]1(C[C@@](C2)(C3)[H])[H])NC(=S)NC(C)(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.897026 |