| SpectraBase Spectrum ID |
9pGzCuqnZIl |
| Name |
2-((S)-1,2,2-Trimethyl-cyclopentyl)-[1,4]benzoquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
218.130679818 u |
| Formula |
C14H18O2 |
| InChI |
InChI=1S/C14H18O2/c1-13(2)7-4-8-14(13,3)11-9-10(15)5-6-12(11)16/h5-6,9H,4,7-8H2,1-3H3/t14-/m1/s1 |
| InChIKey |
VJDRQVFINJWAEO-CQSZACIVSA-N |
| Molecular Weight |
218.296 g/mol |
| SMILES |
C1([C@@]2(C(CCC2)(C)C)C)=CC(=O)C=CC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.805897 |
![2-((S)-1,2,2-Trimethyl-cyclopentyl)-[1,4]benzoquinone](/api/spectrum/9pGzCuqnZIl/structure.png?h=300&w=458 "2-((S)-1,2,2-Trimethyl-cyclopentyl)-[1,4]benzoquinone")
