| SpectraBase Spectrum ID |
Xwh42qwAyu |
| Name |
1,18(1,3)-bis-(2-Hydroxybenzena)-cyclo-[16.16]-tetratriacontaphane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
640.470289775 u |
| Formula |
C40H64O6 |
| InChI |
InChI=1S/C40H64O6/c41-39-35-27-25-29-37(39)45-33-23-19-15-11-7-3-4-8-12-16-20-24-34-46-38-30-26-28-36(40(38)42)44-32-22-18-14-10-6-2-1-5-9-13-17-21-31-43-35/h25-30,41-42H,1-24,31-34H2 |
| InChIKey |
BGWOPQVSWIUYMB-UHFFFAOYSA-N |
| Molecular Weight |
640.946 g/mol |
| SMILES |
C1(O)=C2OCCCCCCCCCCCCCCOC3=CC=CC(=C3O)OCCCCCCCCCCCCCCOC1=CC=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918334 |
![1,18(1,3)-bis-(2-Hydroxybenzena)-cyclo-[16.16]-tetratriacontaphane](/api/spectrum/Xwh42qwAyu/structure.png?h=300&w=458 "1,18(1,3)-bis-(2-Hydroxybenzena)-cyclo-[16.16]-tetratriacontaphane")
