![3-[1-(Adamantan-1-yl)ethyl]-1-phenylthiourea](/api/spectrum/JykxkgUyz9m/structure.png?h=300&w=458 "3-[1-(Adamantan-1-yl)ethyl]-1-phenylthiourea")
| SpectraBase Compound ID | 7Bk4Pc5yzo3 |
|---|---|
| InChI | InChI=1S/C19H26N2S/c1-13(20-18(22)21-17-5-3-2-4-6-17)19-10-14-7-15(11-19)9-16(8-14)12-19/h2-6,13-16H,7-12H2,1H3,(H2,20,21,22)/t13?,14-,15+,16-,19- |
| InChIKey | DSIJQPKJVNOPJE-JELAECSWSA-N |
| Mol Weight | 314.49 g/mol |
| Molecular Formula | C19H26N2S |
| Exact Mass | 314.18167 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JykxkgUyz9m |
|---|---|
| Name | 3-[1-(Adamantan-1-yl)ethyl]-1-phenylthiourea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.181670019 u |
| Formula | C19H26N2S |
| InChI | InChI=1S/C19H26N2S/c1-13(20-18(22)21-17-5-3-2-4-6-17)19-10-14-7-15(11-19)9-16(8-14)12-19/h2-6,13-16H,7-12H2,1H3,(H2,20,21,22)/t13?,14-,15+,16-,19- |
| InChIKey | DSIJQPKJVNOPJE-JELAECSWSA-N |
| Molecular Weight | 314.491 g/mol |
| SMILES | C1[C@]2(C[C@]3(CC1(C[C@@](C2)(C3)[H])C(C)NC(NC1=CC=CC=C1)=S)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.865961 |