| SpectraBase Compound ID | FnvKBL9f0VQ |
|---|---|
| InChI | InChI=1S/C18H18Cl4O2/c19-3-11-13(5-21)17-9-2-10-8(1-7(9)15(11)23-17)16-12(4-20)14(6-22)18(10)24-16/h1-2,11-18H,3-6H2/t11-,12-,13+,14+,15-,16-,17+,18+ |
| InChIKey | JKWXPYUCJPAHQJ-BUMMCQGBSA-N |
| Mol Weight | 408.2 g/mol |
| Molecular Formula | C18H18Cl4O2 |
| Exact Mass | 406.006091 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 28H9EQbs0s8 |
|---|---|
| Name | 1,4:5,8-Diepoxyanthracene, 2,3,6,7-tetrakis(chloromethyl)-1,2,3,4,5,6,7,8-octahydro-, (1.alpha.,2.beta.,3.beta.,4.alpha.,5.bet A.,6.alpha.,7.alpha.,8.beta.)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 406.006090618 u |
| Formula | C18H18Cl4O2 |
| InChI | InChI=1S/C18H18Cl4O2/c19-3-11-13(5-21)17-9-2-10-8(1-7(9)15(11)23-17)16-12(4-20)14(6-22)18(10)24-16/h1-2,11-18H,3-6H2/t11-,12-,13+,14+,15-,16-,17+,18+ |
| InChIKey | JKWXPYUCJPAHQJ-BUMMCQGBSA-N |
| Molecular Weight | 408.152 g/mol |
| SMILES | [C@@]12(C3=C(C=C4[C@@]5([C@](CCl)([C@@]([C@](C4=C3)(O5)[H])(CCl)[H])[H])[H])[C@](O2)([H])[C@@]([C@@]1(CCl)[H])(CCl)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.902552 |