![Calix[4]naphthalene](/api/spectrum/5vNMU5RChDB/structure.png?h=300&w=458 "Calix[4]naphthalene")
| SpectraBase Compound ID | 8KZxWCbfBE3 |
|---|---|
| InChI | InChI=1S/C44H32O4/c45-41-29-17-25-9-1-5-13-33(25)37(41)22-30-18-26-10-3-7-15-35(26)39(42(30)46)24-32-20-28-12-4-8-16-36(28)40(44(32)48)23-31-19-27-11-2-6-14-34(27)38(21-29)43(31)47/h1-20,45-48H,21-24H2 |
| InChIKey | CFYWMYYZNVEHOO-UHFFFAOYSA-N |
| Mol Weight | 624.7 g/mol |
| Molecular Formula | C44H32O4 |
| Exact Mass | 624.23006 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5vNMU5RChDB |
|---|---|
| Name | Calix[4]naphthalene |
| Alternate Name(s) | nonacyclo[31.7.1.1(3,11).1(13,21).1(23,31).0(4,9).0(14,19).0(24,29).0(34,39)]tetratetraconta-1(41),3,4,6,8,10,13,15,17,19,21(43),23(42),24,26,28,30,33,35,37,39-icosaene-41,42,43,44-tetrol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C44H32O4 |
| InChI | InChI=1S/C44H32O4/c45-41-29-17-25-9-1-5-13-33(25)37(41)22-30-18-26-10-3-7-15-35(26)39(42(30)46)24-32-20-28-12-4-8-16-36(28)40(44(32)48)23-31-19-27-11-2-6-14-34(27)38(21-29)43(31)47/h1-20,45-48H,21-24H2 |
| InChIKey | CFYWMYYZNVEHOO-UHFFFAOYSA-N |
| Molecular Weight | 624.736 g/mol |
| SMILES | Oc1c2Cc3c(c(Cc4c(c(Cc5c(c(Cc1cc1c2cccc1)c1c(c5)cccc1)O)c1c(c4)cccc1)O)c1c(c3)cccc1)O |
| SPLASH | splash10-05i0-0521109000-e32dd67d802f798b1fd0 |
| Source of Spectrum | J-63-1824-11 |
| Wiley ID | 1411815 |