| SpectraBase Spectrum ID |
HnY9lv3pWIA |
| Name |
(1S*,4S*,7S*)-1,3,3-Trimethyl-7-acetylbicyclo[2.2.2]oct-5-en-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
206.130679818 u |
| Formula |
C13H18O2 |
| InChI |
InChI=1S/C13H18O2/c1-8(14)10-7-9-5-6-13(10,4)11(15)12(9,2)3/h5-6,9-10H,7H2,1-4H3/t9-,10+,13+/m1/s1 |
| InChIKey |
YTIJEFRGFZKVBS-NRUUGDAUSA-N |
| Molecular Weight |
206.285 g/mol |
| SMILES |
[C@]12(C(C(C)(C)[C@](C=C2)(C[C@]1(C(=O)C)[H])[H])=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87262 |
![(1S*,4S*,7S*)-1,3,3-Trimethyl-7-acetylbicyclo[2.2.2]oct-5-en-2-one](/api/spectrum/HnY9lv3pWIA/structure.png?h=300&w=458 "(1S*,4S*,7S*)-1,3,3-Trimethyl-7-acetylbicyclo[2.2.2]oct-5-en-2-one")
