| SpectraBase Spectrum ID |
GqIb2BMOnUJ |
| Name |
p-(Adamantyl-1)-methylthiobenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.144221882 u |
| Formula |
C17H22S |
| InChI |
InChI=1S/C17H22S/c1-18-16-4-2-15(3-5-16)17-9-12-6-13(10-17)8-14(7-12)11-17/h2-5,12-14H,6-11H2,1H3/t12-,13+,14-,17- |
| InChIKey |
FTDANSONSFSPAS-ZZNDEYBLSA-N |
| Molecular Weight |
258.423 g/mol |
| SMILES |
CSC1=CC=C(C=C1)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887716 |
