| SpectraBase Spectrum ID |
CcBn5WVU87Z |
| Name |
1,4-Phenanthrenedione, 2-[2-(acetyloxy)propyl]-3-hydroxy-5,7,8-trimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.146723803 u |
| Formula |
C22H22O5 |
| InChI |
InChI=1S/C22H22O5/c1-10-8-11(2)18-15(13(10)4)6-7-16-19(18)22(26)21(25)17(20(16)24)9-12(3)27-14(5)23/h6-8,12,25H,9H2,1-5H3 |
| InChIKey |
YUDHACFHDXCAPH-UHFFFAOYSA-N |
| Molecular Weight |
366.413 g/mol |
| SMILES |
C1(=C(C(=O)C2=C(C1=O)C=CC=1C(=C(C)C=C(C21)C)C)O)CC(OC(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895079 |
![1,4-Phenanthrenedione, 2-[2-(acetyloxy)propyl]-3-hydroxy-5,7,8-trimethyl-](/api/spectrum/CcBn5WVU87Z/structure.png?h=300&w=458 "1,4-Phenanthrenedione, 2-[2-(acetyloxy)propyl]-3-hydroxy-5,7,8-trimethyl-")
