| SpectraBase Spectrum ID |
2RuqQ59IthR |
| Name |
1,4-Dimethyladamantane (isomer 1) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
164.156500644 u |
| Formula |
C12H20 |
| InChI |
InChI=1S/C12H20/c1-8-10-3-9-4-11(8)7-12(2,5-9)6-10/h8-11H,3-7H2,1-2H3/t8-,9+,10+,11-,12- |
| InChIKey |
MUQFEEYWQQZABK-CSPFCNMYSA-N |
| Molecular Weight |
164.292 g/mol |
| SMILES |
[C@]12(C[C@@]3(C[C@@](C2)([C@@]([C@@](C1)(C3)[H])(C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899173 |
