| SpectraBase Spectrum ID |
Ip4gddmA0sG |
| Name |
11,23-bis(Phenoxymethyl)-25,27-dihydroxy-26,28-dimethoxy-calix[4]arene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
664.282489002 u |
| Formula |
C44H40O6 |
| InChI |
InChI=1S/C44H40O6/c1-47-43-31-11-9-12-32(43)24-36-20-30(28-50-40-17-7-4-8-18-40)22-38(42(36)46)26-34-14-10-13-33(44(34)48-2)25-37-21-29(19-35(23-31)41(37)45)27-49-39-15-5-3-6-16-39/h3-22,45-46H,23-28H2,1-2H3 |
| InChIKey |
BXSLZMMNKXMBIZ-UHFFFAOYSA-N |
| Molecular Weight |
664.798 g/mol |
| SMILES |
C=12C(=C(CC=3C(=C(CC=4C(=C(CC5=C(C(C2)=CC=C5)OC)C=C(C4)COC2=CC=CC=C2)O)C=CC3)OC)C=C(C1)COC=1C=CC=CC1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931052 |
![11,23-bis(Phenoxymethyl)-25,27-dihydroxy-26,28-dimethoxy-calix[4]arene](/api/spectrum/Ip4gddmA0sG/structure.png?h=300&w=458 "11,23-bis(Phenoxymethyl)-25,27-dihydroxy-26,28-dimethoxy-calix[4]arene")
