| SpectraBase Spectrum ID |
JteIfoxlc4 |
| Name |
3-Isopropoxymethyl-1,8-diisopropoxyanthraquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.193673997 u |
| Formula |
C24H28O5 |
| InChI |
InChI=1S/C24H28O5/c1-13(2)27-12-16-10-18-22(20(11-16)29-15(5)6)24(26)21-17(23(18)25)8-7-9-19(21)28-14(3)4/h7-11,13-15H,12H2,1-6H3 |
| InChIKey |
IEPNIXPBMQBZKR-UHFFFAOYSA-N |
| Molecular Weight |
396.483 g/mol |
| SMILES |
C=12C(C=3C(OC(C)C)=CC=CC3C(C2=CC(=CC1OC(C)C)COC(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845005 |
