| SpectraBase Spectrum ID |
FoLURwfWHzM |
| Name |
(3R,6R,7S) 2,2,6-Trimethyltricyclo[5.3.0.1(3,6)]undeca-1(10),8-dien-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
202.135765199 u |
| Formula |
C14H18O |
| InChI |
InChI=1S/C14H18O/c1-13(2)9-5-4-6-10(9)14(3)7-11(13)12(15)8-14/h4-6,10-11H,7-8H2,1-3H3/t10-,11+,14-/m1/s1 |
| InChIKey |
KQJBDMXZLRCMKZ-UHIISALHSA-N |
| Molecular Weight |
202.297 g/mol |
| SMILES |
[C@]12([C@]3(C(=CC=C3)C([C@@](C1)(C(C2)=O)[H])(C)C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932138 |
![(3R,6R,7S) 2,2,6-Trimethyltricyclo[5.3.0.1(3,6)]undeca-1(10),8-dien-4-one](/api/spectrum/FoLURwfWHzM/structure.png?h=300&w=458 "(3R,6R,7S) 2,2,6-Trimethyltricyclo[5.3.0.1(3,6)]undeca-1(10),8-dien-4-one")
