| SpectraBase Spectrum ID |
5GKsHxFXUIz |
| Name |
p-Ethyl-(adamantyl-1)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.187800773 u |
| Formula |
C18H24 |
| InChI |
InChI=1S/C18H24/c1-2-13-3-5-17(6-4-13)18-10-14-7-15(11-18)9-16(8-14)12-18/h3-6,14-16H,2,7-12H2,1H3/t14-,15+,16-,18- |
| InChIKey |
NBKDLEUUBMSFNQ-CMIRHGDUSA-N |
| Molecular Weight |
240.390 g/mol |
| SMILES |
CCC1=CC=C(C=C1)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92759 |
