| SpectraBase Spectrum ID |
3tepnpvInUr |
| Name |
2-Methyl-5-(1-adamantyl)pentan-2-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.214015521 u |
| Formula |
C16H28O |
| InChI |
InChI=1S/C16H28O/c1-15(2,17)4-3-5-16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14,17H,3-11H2,1-2H3/t12-,13+,14-,16+ |
| InChIKey |
RCJSEVKNFJYNNT-UWOLEIRVSA-N |
| Molecular Weight |
236.399 g/mol |
| SMILES |
C(O)(C)(C)CCCC12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827484 |
