| SpectraBase Spectrum ID |
5lJNk6KxPMv |
| Name |
p-(Adamantyl-1)-N-propylthiobenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
286.175522011 u |
| Formula |
C19H26S |
| InChI |
InChI=1S/C19H26S/c1-2-7-20-18-5-3-17(4-6-18)19-11-14-8-15(12-19)10-16(9-14)13-19/h3-6,14-16H,2,7-13H2,1H3/t14-,15+,16-,19- |
| InChIKey |
MZKIBMASXMZRFF-HGYGSNGRSA-N |
| SMILES |
C1[C@]2(CC3(C[C@@]1(C[C@@](C2)(C3)[H])[H])C1=CC=C(C=C1)SCCC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.819127 |
