| SpectraBase Spectrum ID |
KLjTZPINudr |
| Name |
3,5-Diacetoxy-7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxy-3,5-dimethoxyphenyl)-heptane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
490.220282666 u |
| Formula |
C26H34O9 |
| InChI |
InChI=1S/C26H34O9/c1-16(27)34-20(9-6-18-8-11-22(29)23(12-18)31-3)15-21(35-17(2)28)10-7-19-13-24(32-4)26(30)25(14-19)33-5/h8,11-14,20-21,29-30H,6-7,9-10,15H2,1-5H3 |
| InChIKey |
WMROZLOCVPCLGP-UHFFFAOYSA-N |
| Molecular Weight |
490.549 g/mol |
| SMILES |
C1(O)=C(C=C(CCC(CC(CCC2=CC(=C(C(=C2)OC)O)OC)OC(=O)C)OC(=O)C)C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890312 |
