piceno[2](1,4)naphthalenophan-1-ene](/api/spectrum/342Isi1tpyp/structure.png?h=300&w=458 "syn-1,2,20,21-Tetramethyl[1.1](5,8)piceno[2](1,4)naphthalenophan-1-ene")
| SpectraBase Compound ID | 7FL9hFjT515 |
|---|---|
| InChI | InChI=1S/C50H38/c1-29-23-47-36-26-34-18-20-38(43-15-9-6-12-40(34)43)32(4)31(3)37-19-17-33(39-11-5-8-14-42(37)39)25-35-27-49-45(44-16-10-7-13-41(35)44)21-22-46(50(49)28-36)48(47)24-30(29)2/h5-24,27-28H,25-26H2,1-4H3/b32-31- |
| InChIKey | WICDYHCZZOTCHM-MVJHLKBCSA-N |
| Mol Weight | 638.9 g/mol |
| Molecular Formula | C50H38 |
| Exact Mass | 638.297351 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 342Isi1tpyp |
|---|---|
| Name | syn-1,2,20,21-Tetramethyl[1.1](5,8)piceno[2](1,4)naphthalenophan-1-ene |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C50H38 |
| InChI | InChI=1S/C50H38/c1-29-23-47-36-26-34-18-20-38(43-15-9-6-12-40(34)43)32(4)31(3)37-19-17-33(39-11-5-8-14-42(37)39)25-35-27-49-45(44-16-10-7-13-41(35)44)21-22-46(50(49)28-36)48(47)24-30(29)2/h5-24,27-28H,25-26H2,1-4H3/b32-31- |
| InChIKey | WICDYHCZZOTCHM-MVJHLKBCSA-N |
| Molecular Weight | 638.854 g/mol |
| SMILES | c12\C(=C/(c3ccc(Cc4cc5c6cc(Cc(c7c2cccc7)cc1)c1c(c6ccc5c2c4cc(c(c2)C)C)cccc1)c1c3cccc1)C)C |
| SPLASH | splash10-000i-0001009000-4b7b6d0d1c34c613a0f1 |
| Source of Spectrum | K-127-1162-8 |
| Synonyms | 11,12,25,26-tetramethyldecacyclo[20.16.4.2(3,10).2(13,20).0(4,9).0(14,19).0(23,28).0(29,41).0(32,40).0(33,38)]hexatetraconta-1(38),3(46),4,6,8,10(45),11,13,14,16,18,20(43),22,24,26,28,30,32,34,36,39,41-docosaene |
| Wiley ID | 1412552 |