![1-Decylbenz[cd]indol-2(1H)-one](/api/spectrum/HKrovi6jnRZ/structure.png?h=300&w=458 "1-Decylbenz[cd]indol-2(1H)-one")
| SpectraBase Compound ID | 53NvVwtwFe5 |
|---|---|
| InChI | InChI=1S/C21H27NO/c1-2-3-4-5-6-7-8-9-16-22-19-15-11-13-17-12-10-14-18(20(17)19)21(22)23/h10-15H,2-9,16H2,1H3 |
| InChIKey | AFQUFFILNHXDLX-UHFFFAOYSA-N |
| Mol Weight | 309.45 g/mol |
| Molecular Formula | C21H27NO |
| Exact Mass | 309.209264 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HKrovi6jnRZ |
|---|---|
| Name | 1-Decylbenz[cd]indol-2(1H)-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.209264492 u |
| Formula | C21H27NO |
| InChI | InChI=1S/C21H27NO/c1-2-3-4-5-6-7-8-9-16-22-19-15-11-13-17-12-10-14-18(20(17)19)21(22)23/h10-15H,2-9,16H2,1H3 |
| InChIKey | AFQUFFILNHXDLX-UHFFFAOYSA-N |
| Molecular Weight | 309.453 g/mol |
| SMILES | C1=CC2=C3C(=C1)C=CC=C3N(C2=O)CCCCCCCCCC |