![7-Oxo-2,2a,7,11b-tetrahydro-1H-dibenzo[a,E]cyclobuta[c]cycloheptene-1-carbonitrile](/api/spectrum/6kMSZO121YN/structure.png?h=300&w=458 "7-Oxo-2,2a,7,11b-tetrahydro-1H-dibenzo[a,E]cyclobuta[c]cycloheptene-1-carbonitrile")
| SpectraBase Compound ID | 8whlO9vTA8X |
|---|---|
| InChI | InChI=1S/C18H13NO/c19-10-11-9-16-12-5-1-3-7-14(12)18(20)15-8-4-2-6-13(15)17(11)16/h1-8,11,16-17H,9H2 |
| InChIKey | FQODWORKNDTMNF-UHFFFAOYSA-N |
| Mol Weight | 259.31 g/mol |
| Molecular Formula | C18H13NO |
| Exact Mass | 259.099714 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6kMSZO121YN |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C18H13NO |
| InChI | InChI=1S/C18H13NO/c19-10-11-9-16-12-5-1-3-7-14(12)18(20)15-8-4-2-6-13(15)17(11)16/h1-8,11,16-17H,9H2 |
| InChIKey | FQODWORKNDTMNF-UHFFFAOYSA-N |
| Molecular Weight | 259.0994 |
| SMILES | c1ccc2c(C3CC(C#N)C3c3c(cccc3)C2=O)c1 |
| SPLASH | splash10-056r-4940000000-21733a259b37ec3d7ce4 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |