| SpectraBase Spectrum ID |
Drmlv629r5k |
| Name |
(5as,6S,11As)-6-hydroxy-1,4,4A,5A,6,11,11A,12A-octahydro-naphthacene-5,12-dione |
| 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/c19-16-12-7-3-4-8-13(12)18(21)15-14(16)9-10-5-1-2-6-11(10)17(15)20/h1-6,12-15,17,20H,7-9H2/t12?,13?,14-,15-,17+/m0/s1 |
| InChIKey |
AUBUWRHRZKXFSS-XRLSCXDPSA-N |
| SMILES |
[C@]12(C(C3CC=CCC3C([C@]2(CC2=C([C@]1(O)[H])C=CC=C2)[H])=O)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9307 |
