naphthalenophane-1,21-diene](/api/spectrum/C2bsttFAty1/structure.png?h=300&w=458 "1,2,21,22-Tetramethyl[2.2.2.2](1,4)naphthalenophane-1,21-diene")
| SpectraBase Compound ID | Gp21OSiaLIw |
|---|---|
| InChI | InChI=1S/C52H44/c1-33-34(2)42-30-26-38(46-14-6-10-18-50(42)46)23-24-40-28-32-44(52-20-12-8-16-48(40)52)36(4)35(3)43-31-27-39(47-15-7-11-19-51(43)47)22-21-37-25-29-41(33)49-17-9-5-13-45(37)49/h5-20,25-32H,21-24H2,1-4H3/b34-33-,36-35- |
| InChIKey | NSMGCPNACVVAJO-GLTNCGNLSA-N |
| Mol Weight | 668.9 g/mol |
| Molecular Formula | C52H44 |
| Exact Mass | 668.344301 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | C2bsttFAty1 |
|---|---|
| Name | 1,2,21,22-Tetramethyl[2.2.2.2](1,4)naphthalenophane-1,21-diene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C52H44 |
| InChI | InChI=1S/C52H44/c1-33-34(2)42-30-26-38(46-14-6-10-18-50(42)46)23-24-40-28-32-44(52-20-12-8-16-48(40)52)36(4)35(3)43-31-27-39(47-15-7-11-19-51(43)47)22-21-37-25-29-41(33)49-17-9-5-13-45(37)49/h5-20,25-32H,21-24H2,1-4H3/b34-33-,36-35- |
| InChIKey | NSMGCPNACVVAJO-GLTNCGNLSA-N |
| Molecular Weight | 668.924 g/mol |
| SMILES | c12\C(=C/(c3ccc(CCc4ccc(\C(=C/(c5c6c(c(CCc(c7c2cccc7)cc1)cc5)cccc6)C)C)c1c4cccc1)c1c3cccc1)C)C |
| SPLASH | splash10-0159-0008009000-a2bd470ba69d01b61396 |
| Source of Spectrum | K-127-1161-6 |
| Synonyms | 2,3,22,23-tetramethylnonacyclo[32.6.2.2(4,11).2(14,21).2(24,31).0(5,10).0(15,20).0(25,30).0(35,40)]octatetraconta-1(41),2,4,6,8,10,14,16,18,20,22,24,25,27,29,31(43),34(42),35,37,39,45,47-docosaene |
| Wiley ID | 1413885 |