| SpectraBase Spectrum ID |
2a8WlrCbQ1d |
| Name |
(4as*,9as*)-4A-Acetyl-1,4,4A,9,9A-tetrahydro-2,3-dimethyl-9,10-anthracenedione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.125594437 u |
| Formula |
C18H18O3 |
| InChI |
InChI=1S/C18H18O3/c1-10-8-15-16(20)13-6-4-5-7-14(13)17(21)18(15,12(3)19)9-11(10)2/h4-7,15H,8-9H2,1-3H3/t15-,18+/m0/s1 |
| InChIKey |
LFXPQHIJPLBIMO-MAUKXSAKSA-N |
| SMILES |
[C@@]12(C(C3=CC=CC=C3C([C@@]2(CC(=C(C1)C)C)[H])=O)=O)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948436 |
