![1-(3-Nitrophenyl)-1H,2H,3H,4H,9H-pyrido[3,4-B]indole](/api/spectrum/7nirbBeI8r3/structure.png?h=300&w=458 "1-(3-Nitrophenyl)-1H,2H,3H,4H,9H-pyrido[3,4-B]indole")
| SpectraBase Compound ID | 9gwY3U8Ir0S |
|---|---|
| InChI | InChI=1S/C17H15N3O2/c21-20(22)12-5-3-4-11(10-12)16-17-14(8-9-18-16)13-6-1-2-7-15(13)19-17/h1-7,10,16,18-19H,8-9H2 |
| InChIKey | URZDISYKQVHHJG-UHFFFAOYSA-N |
| Mol Weight | 293.33 g/mol |
| Molecular Formula | C17H15N3O2 |
| Exact Mass | 293.116427 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7nirbBeI8r3 |
|---|---|
| Name | 1-(3-Nitrophenyl)-1H,2H,3H,4H,9H-pyrido[3,4-B]indole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.116426733 u |
| Formula | C17H15N3O2 |
| InChI | InChI=1S/C17H15N3O2/c21-20(22)12-5-3-4-11(10-12)16-17-14(8-9-18-16)13-6-1-2-7-15(13)19-17/h1-7,10,16,18-19H,8-9H2 |
| InChIKey | URZDISYKQVHHJG-UHFFFAOYSA-N |
| SMILES | C1=CC2=C(C=C1)C=1CCNC(C1N2)C1=CC=CC(=C1)N(=O)=O |