| SpectraBase Spectrum ID |
FokIZI6HM4h |
| Name |
[(1R*,2S*,3R*,4S*)-3,4-Diphenylcyclobutane-1,2-diyl]dibenzene-4,1-diyl diacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
476.198759378 u |
| Formula |
C32H28O4 |
| InChI |
InChI=1S/C32H28O4/c1-21(33)35-27-17-13-25(14-18-27)31-29(23-9-5-3-6-10-23)30(24-11-7-4-8-12-24)32(31)26-15-19-28(20-16-26)36-22(2)34/h3-20,29-32H,1-2H3/t29-,30+,31+,32- |
| InChIKey |
ZXRAZMXJSPONCS-UTRLAFKGSA-N |
| Molecular Weight |
476.572 g/mol |
| SMILES |
[C@]1([C@]([C@@]([C@@]1(C=1C=CC=CC1)[H])(C=1C=CC=CC1)[H])(C=1C=CC(=CC1)OC(C)=O)[H])(C=1C=CC(=CC1)OC(C)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950586 |
![[(1R*,2S*,3R*,4S*)-3,4-Diphenylcyclobutane-1,2-diyl]dibenzene-4,1-diyl diacetate](/api/spectrum/FokIZI6HM4h/structure.png?h=300&w=458 "[(1R*,2S*,3R*,4S*)-3,4-Diphenylcyclobutane-1,2-diyl]dibenzene-4,1-diyl diacetate")
