| SpectraBase Spectrum ID |
4uRsZw3mB8E |
| Name |
1,3,4-Trimethyl-3-propylbicyclo[2.2.2]octan-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
208.182715392 u |
| Formula |
C14H24O |
| InChI |
InChI=1S/C14H24O/c1-5-6-14(4)11(15)12(2)7-9-13(14,3)10-8-12/h5-10H2,1-4H3 |
| InChIKey |
UTZRXNYUPSPHGG-UHFFFAOYSA-N |
| Molecular Weight |
208.345 g/mol |
| SMILES |
C1(C(C2(C)CCC1(CC2)C)=O)(CCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.828466 |
![1,3,4-Trimethyl-3-propylbicyclo[2.2.2]octan-2-one](/api/spectrum/4uRsZw3mB8E/structure.png?h=300&w=458 "1,3,4-Trimethyl-3-propylbicyclo[2.2.2]octan-2-one")
