SpectraBase Spectrum ID |
8koW7opCMBT |
Name |
1,2,3,4A,5,6,7,8,8A-Decahydrobenz[D]inden-4(4H)-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
190.135765199 u |
Formula |
C13H18O |
InChI |
InChI=1S/C13H18O/c14-13-11-6-2-1-4-9(11)8-10-5-3-7-12(10)13/h9,11H,1-8H2 |
InChIKey |
HPCSETXUPZDGAB-UHFFFAOYSA-N |
Molecular Weight |
190.286 g/mol |
SMILES |
C1(C2=C(CCC2)CC2C1CCCC2)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949175 |