Pyrenophane](/api/spectrum/43DiMg6G2NI/structure.png?h=300&w=458 "[7](2,7)Pyrenophane")
| SpectraBase Compound ID | Ao7CUI5FAnj |
|---|---|
| InChI | InChI=1S/C23H22/c1-2-4-6-16-12-18-8-10-20-14-17(7-5-3-1)15-21-11-9-19(13-16)22(18)23(20)21/h8-15H,1-7H2 |
| InChIKey | VHVKAELFYUXZEM-UHFFFAOYSA-N |
| Mol Weight | 298.43 g/mol |
| Molecular Formula | C23H22 |
| Exact Mass | 298.172151 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 43DiMg6G2NI |
|---|---|
| Name | [7](2,7)Pyrenophane |
| Alternate Name(s) | Pentacyclo[12.7.1.1(6,19).0(4,20).0(16,21)]tricosa-1,1(21),3,4,6(23),14(22),15,17,19,20-decaene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H22 |
| InChI | InChI=1S/C23H22/c1-2-4-6-16-12-18-8-10-20-14-17(7-5-3-1)15-21-11-9-19(13-16)22(18)23(20)21/h8-15H,1-7H2 |
| InChIKey | VHVKAELFYUXZEM-UHFFFAOYSA-N |
| Molecular Weight | 298.429 g/mol |
| SMILES | c12c3c4cc5cc3ccc1cc(CCCCCCC5)cc2cc4 |
| SPLASH | splash10-00mn-0090000000-798323f76b49e98328a5 |
| Source of Spectrum | J-65-5369-22 |
| Wiley ID | 1532975 |