| SpectraBase Spectrum ID |
BXdA325L5S |
| Name |
4,7-Azulenedione, 2,3,3A,5,6,8-hexahydro-3A-methyl-1-(1-methylethyl)-, (S)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.146329882 u |
| Formula |
C14H20O2 |
| InChI |
InChI=1S/C14H20O2/c1-9(2)11-6-7-14(3)12(11)8-10(15)4-5-13(14)16/h9H,4-8H2,1-3H3/t14-/m0/s1 |
| InChIKey |
ORKLADGFXVZAIU-AWEZNQCLSA-N |
| Molecular Weight |
220.312 g/mol |
| SMILES |
C=12[C@@](C(=O)CCC(C2)=O)(CCC1C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.833804 |
