| SpectraBase Spectrum ID |
HOTr9WWrsas |
| Name |
4-Adamantan-1-yl-piperazine-1-carbothioic acid phenethyl-amide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
383.239519249 u |
| Formula |
C23H33N3S |
| InChI |
InChI=1S/C23H33N3S/c27-22(24-7-6-18-4-2-1-3-5-18)25-8-10-26(11-9-25)23-15-19-12-20(16-23)14-21(13-19)17-23/h1-5,19-21H,6-17H2,(H,24,27)/t19-,20+,21-,23- |
| InChIKey |
FJDNIGBGUJFUDB-HOFYVFDJSA-N |
| Molecular Weight |
383.598 g/mol |
| SMILES |
C12(N3CCN(C(=S)NCCC4=CC=CC=C4)CC3)C[C@]3(C[C@@](C1)(C[C@@](C2)(C3)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.831267 |
![1-piperazinecarbothioamide, N-(2-phenylethyl)-4-tricyclo[3.3.1.1~3,7~]dec-1-yl-](/api/spectrum/HOTr9WWrsas/structure.png?h=300&w=458 "1-piperazinecarbothioamide, N-(2-phenylethyl)-4-tricyclo[3.3.1.1~3,7~]dec-1-yl-")
