| SpectraBase Compound ID | 8esO4A9iTep |
|---|---|
| InChI | InChI=1S/C35H36O3/c36-33-17-7-8-18(33)30-26-12-25(29(17)30)21-9-19-20(10-22(21)26)24-11-23(19)27-15-5-6-16(28(24)27)32-31(15)34(37)13-3-1-2-4-14(13)35(32)38/h1-6,15-32H,7-12H2/t15-,16+,17+,18-,19+,20-,21-,22+,23-,24+,25+,26-,27-,28+,29+,30-,31+,32- |
| InChIKey | HVRIXOXPKDPTLF-VFCYFUKYSA-N |
| Mol Weight | 504.7 g/mol |
| Molecular Formula | C35H36O3 |
| Exact Mass | 504.266445 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2Tj6ft5LTPY |
|---|---|
| Name | 1,4:5,16:7,14:7,12-tetramethanohexacosanehydrohexacene-1',8,13-trione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H36O3 |
| InChI | InChI=1S/C35H36O3/c36-33-17-7-8-18(33)30-26-12-25(29(17)30)21-9-19-20(10-22(21)26)24-11-23(19)27-15-5-6-16(28(24)27)32-31(15)34(37)13-3-1-2-4-14(13)35(32)38/h1-6,15-32H,7-12H2/t15-,16+,17+,18-,19+,20-,21-,22+,23-,24+,25+,26-,27-,28+,29+,30-,31+,32- |
| InChIKey | HVRIXOXPKDPTLF-VFCYFUKYSA-N |
| Molecular Weight | 504.670 g/mol |
| SMILES | [C@@]12([C@@](C(=O)c3c(C2=O)cccc3)([C@]2([C@]3([C@@]([C@@]1(C=C2)[H])([C@@]1([C@]2([C@](C[C@]4([C@]5([C@@]6([C@@]7(CC[C@]([C@@]6([C@@]([C@]4(C2)[H])(C5)[H])[H])(C7=O)[H])[H])[H])[H])[H])([C@]3(C1)[H])[H])[H])[H])[H])[H])[H])[H])[H] |
| SPLASH | splash10-02bf-9432000000-76ab7688d9c7dccf7e03 |
| Source of Spectrum | HE-1999-400-19 |
| Wiley ID | 1613481 |