| SpectraBase Spectrum ID |
KTO4SdZQUE1 |
| Name |
1,2,8-Trimethyltricyclo[3.2.2.0(1,8)]undecan-9-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/c1-12-7-8-13(2)10(9-12)5-4-6-14(13,3)11(12)15/h10H,4-9H2,1-3H3/t10?,12?,13?,14-/m1/s1 |
| InChIKey |
MXHHQDJNCFUCAP-VPGYJZJUSA-N |
| Molecular Weight |
206.329 g/mol |
| SMILES |
[C@@]12(C3(C(CCC2)CC(C1=O)(CC3)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967071 |
![1,2,8-Trimethyltricyclo[3.2.2.0(1,8)]undecan-9-one](/api/spectrum/KTO4SdZQUE1/structure.png?h=300&w=458 "1,2,8-Trimethyltricyclo[3.2.2.0(1,8)]undecan-9-one")
