| SpectraBase Spectrum ID |
HOvo0iosfcK |
| Name |
rel-(1R,4S,8R,9R)-6,9,9-Trimethyltricyclo[6.3.0.0(4,8)]undecan-3-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/c1-9-6-11-12(15)7-10-4-5-13(2,3)14(10,11)8-9/h9-11H,4-8H2,1-3H3/t9?,10-,11-,14-/m1/s1 |
| InChIKey |
NEJPORNGIHTHOG-HQEXMQBPSA-N |
| Molecular Weight |
206.329 g/mol |
| SMILES |
[C@]123[C@@](C(=O)C[C@]3(CCC1(C)C)[H])(CC(C2)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885911 |
![rel-(1R,4S,8R,9R)-6,9,9-Trimethyltricyclo[6.3.0.0(4,8)]undecan-3-one](/api/spectrum/HOvo0iosfcK/structure.png?h=300&w=458 "rel-(1R,4S,8R,9R)-6,9,9-Trimethyltricyclo[6.3.0.0(4,8)]undecan-3-one")
