| SpectraBase Spectrum ID |
9A04Mh7TVLD |
| Name |
(+-)-(4ar,9ar)-6-benzyloxy-9A-hydroxy-2-methyl-3,4,4A,9A-tetrahydro-3,9-fluorenedione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.120509056 u |
| Formula |
C21H18O4 |
| InChI |
InChI=1S/C21H18O4/c1-13-11-21(24)18(10-19(13)22)17-9-15(7-8-16(17)20(21)23)25-12-14-5-3-2-4-6-14/h2-9,11,18,24H,10,12H2,1H3/t18-,21-/m1/s1 |
| InChIKey |
RIRIXKFBVCYXMF-WIYYLYMNSA-N |
| Molecular Weight |
334.371 g/mol |
| SMILES |
C1([C@]2(C=C(C(C[C@@]2(C=2C=C(C=CC12)OCC=1C=CC=CC1)[H])=O)C)O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.817871 |
