| SpectraBase Spectrum ID |
H96vEuTpQOm |
| Name |
1,7-bis(5'-Benzyl-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 |
458.172938551 u |
| Formula |
C28H26O6 |
| InChI |
InChI=1S/C28H26O6/c1-33-26-16-20(10-13-25(26)31)8-11-23(29)18-24(30)12-9-21-15-22(28(32)27(17-21)34-2)14-19-6-4-3-5-7-19/h3-13,15-17,31-32H,14,18H2,1-2H3/b11-8+,12-9+ |
| InChIKey |
ILWFIJIATHWLDK-HZOWPXDZSA-N |
| Molecular Weight |
458.510 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)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9164 |
