| SpectraBase Spectrum ID |
LJTM18pP7hn |
| Name |
5,7-Ditert-butyl-2,3,4-trimethoxy-phenanthrene-9,10-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.209324061 u |
| Formula |
C25H30O5 |
| InChI |
InChI=1S/C25H30O5/c1-24(2,3)13-10-14-18(16(11-13)25(4,5)6)19-15(21(27)20(14)26)12-17(28-7)22(29-8)23(19)30-9/h10-12H,1-9H3 |
| InChIKey |
IQTOUOJBKUIKKE-UHFFFAOYSA-N |
| Molecular Weight |
410.510 g/mol |
| SMILES |
C1=2C3=C(C=C(C(=C3OC)OC)OC)C(C(C1=CC(=CC2C(C)(C)C)C(C)(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875894 |
