SpectraBase Spectrum ID |
9OyqvCT5HKf |
Name |
9A-Methyl-9,10-dioxo-4B,9,9A,10-tetrahydroindeno[1,2-A]indene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
248.083729624 u |
Formula |
C17H12O2 |
InChI |
InChI=1S/C17H12O2/c1-17-14(10-6-2-4-8-12(10)15(17)18)11-7-3-5-9-13(11)16(17)19/h2-9,14H,1H3 |
InChIKey |
LBQABCWXARKPOA-UHFFFAOYSA-N |
Molecular Weight |
248.281 g/mol |
SMILES |
C12(C(C=3C=CC=CC3C2=O)C=2C=CC=CC2C1=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.838434 |