Heptalenophane](/api/spectrum/Fdap7aXjjnq/structure.png?h=300&w=458 "[5](1,6)Heptalenophane")
| SpectraBase Compound ID | BrSMpd1KiKU |
|---|---|
| InChI | InChI=1S/C17H18/c1-2-8-14-10-4-6-13-17-15(9-3-1)11-5-7-12-16(14)17/h4-7,10-13H,1-3,8-9H2 |
| InChIKey | MZHJAHXXSSGHPP-UHFFFAOYSA-N |
| Mol Weight | 222.33 g/mol |
| Molecular Formula | C17H18 |
| Exact Mass | 222.140851 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Fdap7aXjjnq |
|---|---|
| Name | [5](1,6)Heptalenophane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H18 |
| InChI | InChI=1S/C17H18/c1-2-8-14-10-4-6-13-17-15(9-3-1)11-5-7-12-16(14)17/h4-7,10-13H,1-3,8-9H2 |
| InChIKey | MZHJAHXXSSGHPP-UHFFFAOYSA-N |
| Molecular Weight | 222.331 g/mol |
| SMILES | C1=2C=3C(=CC=CC2)CCCCCC1=CC=CC3 |
| SPLASH | splash10-01k9-0940000000-3938fa6d0b56115e96b3 |
| Source of Spectrum | F-56-4245-4 |
| Wiley ID | 857336 |