| SpectraBase Spectrum ID |
GQvP1PzhH2R |
| Name |
di(Adamantan-1-yl)thioketone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.206822140 u |
| Formula |
C21H30S |
| InChI |
InChI=1S/C21H30S/c22-19(20-7-13-1-14(8-20)3-15(2-13)9-20)21-10-16-4-17(11-21)6-18(5-16)12-21/h13-18H,1-12H2/t13-,14+,15-,16?,17?,18?,20-,21? |
| InChIKey |
PRGACUHWUBEYRP-GNBHKNAZSA-N |
| SMILES |
C1C2CC3(C(C45C[C@]6(C[C@@](C5)(C[C@@](C4)(C6)[H])[H])[H])=S)CC1CC(C2)C3 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982695 |
