| SpectraBase Spectrum ID |
HBjWOAt0HhV |
| Name |
cis- and Trans-stilbenediol dibenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
420.136159120 u |
| Formula |
C28H20O4 |
| InChI |
InChI=1S/C28H20O4/c29-27(23-13-3-1-4-14-23)31-25-17-9-7-11-21(25)19-20-22-12-8-10-18-26(22)32-28(30)24-15-5-2-6-16-24/h1-20H/b20-19+ |
| InChIKey |
YOPMIDWXGFEAFX-FMQUCBEESA-N |
| Molecular Weight |
420.464 g/mol |
| SMILES |
C(OC=1C(\C=C\C=2C(OC(=O)C3=CC=CC=C3)=CC=CC2)=CC=CC1)(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914383 |
