| SpectraBase Spectrum ID |
8418hgXkVyZ |
| Name |
11,23-dichloro-5,17-dodecano-25,26,27,28-tetrahydroxycalix[4]arene |
| Alternate Name(s) |
27,36-dichlorohexacyclo[18.9.9.1(24,28).1(33,37).0(4,31).0(17,22)]tetraconta-1,3,17,19,21,24(40),25,27,30,33(39),34,36-dodecaene-21,30,39,40-tetrol |
| CAS Registry Number |
115914-63-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C40H44Cl2O4 |
| InChI |
InChI=1S/C40H44Cl2O4/c41-35-19-17-29-21-31-25-11-9-7-5-3-1-2-4-6-8-10-12-26-14-16-28(24-34(35)39(29)45)38(44)32(26)22-30-18-20-36(42)33(40(30)46)23-27(15-13-25)37(31)43/h13-20,43-46H,1-12,21-24H2 |
| InChIKey |
WTBXDBGHOQTMRH-UHFFFAOYSA-N |
| Molecular Weight |
659.694 g/mol |
| SMILES |
Oc1c2Cc3c(c(Cc4c(c5Cc6c(c(Cc1c(cc2)CCCCCCCCCCCCc4cc5)ccc6Cl)O)O)ccc3Cl)O |
| SPLASH |
splash10-0bt9-0000009000-d050745354f0d7601836 |
| Source of Spectrum |
C-110-6817-36 |
| Wiley ID |
1413487 |
![11,23-dichloro-5,17-dodecano-25,26,27,28-tetrahydroxycalix[4]arene](/api/spectrum/8418hgXkVyZ/structure.png?h=300&w=458 "11,23-dichloro-5,17-dodecano-25,26,27,28-tetrahydroxycalix[4]arene")
