SpectraBase Spectrum ID |
7f80VHbUBYw |
Name |
(E)-1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one, triacetate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
382.105252913 u |
Formula |
C21H18O7 |
InChI |
InChI=1S/C21H18O7/c1-13(22)26-17-7-4-16(5-8-17)6-11-20(25)19-10-9-18(27-14(2)23)12-21(19)28-15(3)24/h4-12H,1-3H3/b11-6+ |
InChIKey |
SLOPRAJOFODBEQ-IZZDOVSWSA-N |
Molecular Weight |
382.368 g/mol |
SMILES |
C1=C(C=CC(=C1)\C=C\C(C1=CC=C(C=C1OC(=O)C)OC(=O)C)=O)OC(=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885149 |