| SpectraBase Spectrum ID |
Ig51sNOAZ1T |
| Name |
5'-(4''-Fluorophenyl)-1,7-bis(4'-hydroxy-3'-methoxyphenyl)-1,6-heptadiene-3,5-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
462.147866618 u |
| Formula |
C27H23FO6 |
| InChI |
InChI=1S/C27H23FO6/c1-33-25-14-17(5-12-24(25)31)3-10-21(29)16-22(30)11-4-18-13-23(27(32)26(15-18)34-2)19-6-8-20(28)9-7-19/h3-15,31-32H,16H2,1-2H3/b10-3+,11-4+ |
| InChIKey |
NTUSGGNYLOHSPX-HULALXFYSA-N |
| Molecular Weight |
462.473 g/mol |
| SMILES |
C1(=C(C(OC)=CC(\C=C\C(CC(\C=C\C=2C=C(OC)C(=CC2)O)=O)=O)=C1)O)C=1C=CC(=CC1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900594 |
