| SpectraBase Spectrum ID |
J1p0W22FFFF |
| Name |
9,9'-Dibenzoylsecoisolariciresinol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
570.225368047 u |
| Formula |
C34H34O8 |
| InChI |
InChI=1S/C34H34O8/c1-39-31-19-23(13-15-29(31)35)17-27(21-41-33(37)25-9-5-3-6-10-25)28(18-24-14-16-30(36)32(20-24)40-2)22-42-34(38)26-11-7-4-8-12-26/h3-16,19-20,27-28,35-36H,17-18,21-22H2,1-2H3 |
| InChIKey |
RQQATRNILDTCMJ-UHFFFAOYSA-N |
| Molecular Weight |
570.638 g/mol |
| SMILES |
C=1(O)C=CC(=CC1OC)CC(COC(=O)C1=CC=CC=C1)C(COC(=O)C1=CC=CC=C1)CC1=CC(OC)=C(O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.818502 |
