| SpectraBase Spectrum ID |
6sZ3bLnKifN |
| Name |
3-Adamantan-1-yl-heptan-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.214015521 u |
| Formula |
C17H28O |
| InChI |
InChI=1S/C17H28O/c1-3-5-16(18)15(4-2)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,3-11H2,1-2H3/t12-,13+,14-,15?,17- |
| InChIKey |
JIRMJOUSSANRRN-ODRUTOAPSA-N |
| Molecular Weight |
248.410 g/mol |
| SMILES |
C12(C(C(=O)CCC)CC)C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841188 |
