| SpectraBase Spectrum ID |
AIyNlFapyRa |
| Name |
1-[(1S)-1,2,2-Trimethylcyclopentyl]hexane-1,5-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.177630011 u |
| Formula |
C14H24O2 |
| InChI |
InChI=1S/C14H24O2/c1-11(15)7-5-8-12(16)14(4)10-6-9-13(14,2)3/h5-10H2,1-4H3/t14-/m1/s1 |
| InChIKey |
XCERZYSTKVVWRM-CQSZACIVSA-N |
| Molecular Weight |
224.344 g/mol |
| SMILES |
[C@@]1(C(CCC1)(C)C)(C(=O)CCCC(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968569 |
![1-[(1S)-1,2,2-trimethylcyclopentyl]hexane-1,5-dione](/api/spectrum/AIyNlFapyRa/structure.png?h=300&w=458 "1-[(1S)-1,2,2-trimethylcyclopentyl]hexane-1,5-dione")
