| SpectraBase Spectrum ID |
KAFsbib9UQT |
| Name |
1-(2-Hydroxyethyl)-9-(3-phenylthioureido)-3,6-diazahomoadamantane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.182732646 u |
| Formula |
C18H26N4OS |
| InChI |
InChI=1S/C18H26N4OS/c23-9-6-18-12-21-7-8-22(13-18)11-14(10-21)16(18)20-17(24)19-15-4-2-1-3-5-15/h1-5,14,16,23H,6-13H2,(H2,19,20,24)/t14-,16?,18+ |
| InChIKey |
BFGKARGWAFPBOC-XCVTUDMCSA-N |
| Molecular Weight |
346.493 g/mol |
| SMILES |
C1=CC=CC(=C1)NC(=S)NC1[C@]2(CN3C[C@@]1(CN(CC3)C2)CCO)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925762 |
