| SpectraBase Spectrum ID |
ClxQVbVxpEE |
| Name |
1-(2-Phenylethynyl)adamantane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.156500644 u |
| Formula |
C18H20 |
| InChI |
InChI=1S/C18H20/c1-2-4-14(5-3-1)6-7-18-11-15-8-16(12-18)10-17(9-15)13-18/h1-5,15-17H,8-13H2/t15-,16+,17-,18+ |
| InChIKey |
NILZZMRDRCUCON-USTZCAOPSA-N |
| Molecular Weight |
236.358 g/mol |
| SMILES |
C12(C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])C#CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861645 |
