naphthaleno[2](2,6)pyrazinophane](/api/spectrum/HKWQUrKFp5j/structure.png?h=300&w=458 "cis,cis-12-bis(methylthio)[2](1,5)naphthaleno[2](2,6)pyrazinophane")
| SpectraBase Compound ID | 4Py0VPfPvRb |
|---|---|
| InChI | InChI=1S/C20H20N2S2/c1-23-19-9-8-16-15-4-3-5-17(16)20(24-2)10-14-12-21-11-13(22-14)6-7-18(15)19/h3-5,8-9,11-12,20H,6-7,10H2,1-2H3 |
| InChIKey | FLIWYOVIKYIQAN-UHFFFAOYSA-N |
| Mol Weight | 352.51 g/mol |
| Molecular Formula | C20H20N2S2 |
| Exact Mass | 352.106791 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HKWQUrKFp5j |
|---|---|
| Name | cis,cis-12-bis(methylthio)[2](1,5)naphthaleno[2](2,6)pyrazinophane |
| Alternate Name(s) | cis,trans-1,12-bis(methylthio)[2](1,5)naphthaleno[2](2,6)pyrazinophane exo-1,12-bis(methylthio)[2](1,4)naphthaleno[2](2,6)pyrazinophane 3,12-bis(methylsulfanyl)-18,20-diazatetracyclo[14.3.1.0(4,9).0(8,13)]icosa-1(20),4,6,8,10,12,16,18-octaene endo-1,12-bis(methylthio)[2](1,4)naphthaleno[2](2,6)pyrazinophane [2](1,5)naphthalino[2](2,6)pyrazinophan, 1,12-bis(methylthio)- |
| CAS Registry Number | 100164-46-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H20N2S2 |
| InChI | InChI=1S/C20H20N2S2/c1-23-19-9-8-16-15-4-3-5-17(16)20(24-2)10-14-12-21-11-13(22-14)6-7-18(15)19/h3-5,8-9,11-12,20H,6-7,10H2,1-2H3 |
| InChIKey | FLIWYOVIKYIQAN-UHFFFAOYSA-N |
| Molecular Weight | 352.514 g/mol |
| SMILES | c12c3c(CCc4cncc(n4)CC(c1ccc3)SC)c(cc2)SC |
| SPLASH | splash10-0udi-0339000000-dab9fbe6e4980941537f |
| Source of Spectrum | K-118-4933-12 |
| Wiley ID | 1343289 |