![2-Cyano-1-(9H-pyrido[3,4-b]indol-1-yl)-ethanone](/api/spectrum/7XmSs6NQEiO/structure.png?h=300&w=458 "2-Cyano-1-(9H-pyrido[3,4-b]indol-1-yl)-ethanone")
| SpectraBase Compound ID | 3RpFrOa3lnY |
|---|---|
| InChI | InChI=1S/C14H9N3O/c15-7-5-12(18)14-13-10(6-8-16-14)9-3-1-2-4-11(9)17-13/h1-4,6,8,17H,5H2 |
| InChIKey | QEIBVHRJIUEDNR-UHFFFAOYSA-N |
| Mol Weight | 235.25 g/mol |
| Molecular Formula | C14H9N3O |
| Exact Mass | 235.074562 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7XmSs6NQEiO |
|---|---|
| Name | 2-Cyano-1-(9H-pyrido[3,4-B]indol-1-yl)-ethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.074561921 u |
| Formula | C14H9N3O |
| InChI | InChI=1S/C14H9N3O/c15-7-5-12(18)14-13-10(6-8-16-14)9-3-1-2-4-11(9)17-13/h1-4,6,8,17H,5H2 |
| InChIKey | QEIBVHRJIUEDNR-UHFFFAOYSA-N |
| Molecular Weight | 235.246 g/mol |
| SMILES | C(CC#N)(C1=NC=CC2=C1NC=1C=CC=CC21)=O |