naphthalenophane-1,20-diene](/api/spectrum/BCx8hOodTC5/structure.png?h=300&w=458 "1,2,20,21-Tetramethyl[2.1.2.1](1,4)naphthalenophane-1,20-diene")
| SpectraBase Compound ID | 4pgf4OsB3E4 |
|---|---|
| InChI | InChI=1S/C50H40/c1-31-32(2)40-26-22-36(44-14-6-10-18-48(40)44)30-38-24-28-42(50-20-12-8-16-46(38)50)34(4)33(3)41-27-23-37(45-15-7-11-19-49(41)45)29-35-21-25-39(31)47-17-9-5-13-43(35)47/h5-28H,29-30H2,1-4H3/b32-31-,34-33- |
| InChIKey | CRKLRAGZUCADPS-NELHQWCOSA-N |
| Mol Weight | 640.9 g/mol |
| Molecular Formula | C50H40 |
| Exact Mass | 640.313001 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BCx8hOodTC5 |
|---|---|
| Name | 1,2,20,21-Tetramethyl[2.1.2.1](1,4)naphthalenophane-1,20-diene |
| Alternate Name(s) | 11,12,30,31-tetramethylnonacyclo[30.6.2.2(3,10).2(13,20).2(22,29).0(4,9).0(14,19).0(23,28).0(33,38)]hexatetraconta-1(38),3,5,7,9,11,13,14,16,18,20(43),22(42),23,25,27,29(41),30,32,34,36,39,45-docosaene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C50H40 |
| InChI | InChI=1S/C50H40/c1-31-32(2)40-26-22-36(44-14-6-10-18-48(40)44)30-38-24-28-42(50-20-12-8-16-46(38)50)34(4)33(3)41-27-23-37(45-15-7-11-19-49(41)45)29-35-21-25-39(31)47-17-9-5-13-43(35)47/h5-28H,29-30H2,1-4H3/b32-31-,34-33- |
| InChIKey | CRKLRAGZUCADPS-NELHQWCOSA-N |
| Molecular Weight | 640.870 g/mol |
| SMILES | c12\C(=C/(c3ccc(Cc4ccc(\C(=C/(c5c6c(c(Cc(c7c2cccc7)cc1)cc5)cccc6)C)C)c1c4cccc1)c1c3cccc1)C)C |
| SPLASH | splash10-0006-0115009000-127643f12528503d5d74 |
| Source of Spectrum | K-127-1161-6 |
| Wiley ID | 1412668 |