| SpectraBase Spectrum ID |
7zR6Eic5EgM |
| Name |
[3,6-bis(Acetyloxy)phenanthrene-9,10-diyl]dibenzene-4,1-diyl diacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
562.162767789 u |
| Formula |
C34H26O8 |
| InChI |
InChI=1S/C34H26O8/c1-19(35)39-25-9-5-23(6-10-25)33-29-15-13-27(41-21(3)37)17-31(29)32-18-28(42-22(4)38)14-16-30(32)34(33)24-7-11-26(12-8-24)40-20(2)36/h5-18H,1-4H3 |
| InChIKey |
ZPVGAXMHTSVNQC-UHFFFAOYSA-N |
| Molecular Weight |
562.574 g/mol |
| SMILES |
C=1C=C(C=C2C1C(C=1C=CC(=CC1)OC(C)=O)=C(C=1C=CC(=CC1)OC(C)=O)C1=CC=C(OC(C)=O)C=C21)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884361 |
![[3,6-bis(Acetyloxy)phenanthrene-9,10-diyl]dibenzene-4,1-diyl diacetate](/api/spectrum/7zR6Eic5EgM/structure.png?h=300&w=458 "[3,6-bis(Acetyloxy)phenanthrene-9,10-diyl]dibenzene-4,1-diyl diacetate")
