| SpectraBase Spectrum ID |
4012UzTTjuR |
| Name |
1-(Adamantan-1-yl)-3-(3-methoxypropyl)thiourea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.176584638 u |
| Formula |
C15H26N2OS |
| InChI |
InChI=1S/C15H26N2OS/c1-18-4-2-3-16-14(19)17-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,2-10H2,1H3,(H2,16,17,19)/t11-,12+,13-,15- |
| InChIKey |
JRSYYJULUARCNL-BVMXXOESSA-N |
| SMILES |
C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])NC(=S)NCCCOC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852444 |
