![Dimethyl 5,14-[1',2']:7,12-[1'',2'']dibenzeno-5,7,12,14-tetrahydropentacene-2,3-dicarboxylate](/api/spectrum/1jPICRsHZxa/structure.png?h=300&w=458 "Dimethyl 5,14-[1',2']:7,12-[1'',2'']dibenzeno-5,7,12,14-tetrahydropentacene-2,3-dicarboxylate")
| SpectraBase Compound ID | 3IJNNdFhXs1 |
|---|---|
| InChI | InChI=1S/C38H26O4/c1-41-37(39)31-17-29-30(18-32(31)38(40)42-2)36-24-14-8-7-13-23(24)35(29)27-15-25-26(16-28(27)36)34-21-11-5-3-9-19(21)33(25)20-10-4-6-12-22(20)34/h3-18,33-36H,1-2H3/t33-,34+,35-,36+ |
| InChIKey | NUUYEMRFLYBYLV-VKAPFSNZSA-N |
| Mol Weight | 546.6 g/mol |
| Molecular Formula | C38H26O4 |
| Exact Mass | 546.183109 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1jPICRsHZxa |
|---|---|
| Name | Dimethyl 5,14-[1',2']:7,12-[1'',2'']dibenzeno-5,7,12,14-tetrahydropentacene-2,3-dicarboxylate |
| Alternate Name(s) | Dimethyl 5,14-[1',2']:7,12-[1'',2'']dibenzeno-5,7,12,14-tetrahydropentacene-2,3-dicarboxylate Dimethyl nonacyclo[14.6.6.6(5,12).0(2,15).0(4,13).0(6,11).0(17,22).0(23,28).0(29,34)]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaene-8,9-dicarboxylate |
| CAS Registry Number | 108947-46-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H26O4 |
| InChI | InChI=1S/C38H26O4/c1-41-37(39)31-17-29-30(18-32(31)38(40)42-2)36-24-14-8-7-13-23(24)35(29)27-15-25-26(16-28(27)36)34-21-11-5-3-9-19(21)33(25)20-10-4-6-12-22(20)34/h3-18,33-36H,1-2H3/t33-,34+,35-,36+ |
| InChIKey | NUUYEMRFLYBYLV-VKAPFSNZSA-N |
| Molecular Weight | 546.622 g/mol |
| SMILES | [C@@]12(c3c(cc4[C@]5(c6ccccc6[C@@](c4c3)(c3ccccc53)[H])[H])[C@@](c3c2cccc3)(c2c1cc(c(C(=O)OC)c2)C(=O)OC)[H])[H] |
| SPLASH | splash10-0r04-7190130000-b08234eae92bf2d04548 |
| Source of Spectrum | J-52-3636-22 |
| Wiley ID | 1405331 |