| SpectraBase Spectrum ID |
tiVLGtdfF7 |
| Name |
1-(9-Benzyl-9-azabicyclo[3.3.1]non-3-yl)-3-phenylthiourea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
365.192569055 u |
| Formula |
C22H27N3S |
| InChI |
InChI=1S/C22H27N3S/c26-22(23-18-10-5-2-6-11-18)24-19-14-20-12-7-13-21(15-19)25(20)16-17-8-3-1-4-9-17/h1-6,8-11,19-21H,7,12-16H2,(H2,23,24,26)/t19?,20-,21+ |
| InChIKey |
UGEXXCHEIXWTRU-SEJPIABJSA-N |
| Molecular Weight |
365.539 g/mol |
| SMILES |
[C@@]12(N([C@@](CC(C2)NC(NC2=CC=CC=C2)=S)(CCC1)[H])CC1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898506 |
![1-(9-Benzyl-9-azabicyclo[3.3.1]non-3-yl)-3-phenylthiourea](/api/spectrum/tiVLGtdfF7/structure.png?h=300&w=458 "1-(9-Benzyl-9-azabicyclo[3.3.1]non-3-yl)-3-phenylthiourea")
