| SpectraBase Spectrum ID |
1dkbrLc4xb7 |
| Name |
5-(2,3-Dimethyltricyclo[2.2.1.02,6]heptan-3-yl)pentan-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
206.167065327 u |
| Formula |
C14H22O |
| InChI |
InChI=1S/C14H22O/c1-9(15)5-4-6-13(2)10-7-11-12(8-10)14(11,13)3/h10-12H,4-8H2,1-3H3/t10-,11+,12-,13?,14+ |
| InChIKey |
IBSHUAUUJQYONI-LWBVCVOYSA-N |
| Molecular Weight |
206.329 g/mol |
| SMILES |
[C@@]12(C[C@]3(C([C@@]2([C@@]1(C3)[H])C)(CCCC(=O)C)C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969047 |
![5-(2,3-Dimethyltricyclo[2.2.1.02,6]heptan-3-yl)pentan-2-one](/api/spectrum/1dkbrLc4xb7/structure.png?h=300&w=458 "5-(2,3-Dimethyltricyclo[2.2.1.02,6]heptan-3-yl)pentan-2-one")
