![6-Methyl-1H,2H,3H,4H,9H-pyrido[3,4-B]indole](/api/spectrum/BpsyMdqC6Tk/structure.png?h=300&w=458 "6-Methyl-1H,2H,3H,4H,9H-pyrido[3,4-B]indole")
| SpectraBase Compound ID | 1Xpy9T7UAht |
|---|---|
| InChI | InChI=1S/C12H14N2/c1-8-2-3-11-10(6-8)9-4-5-13-7-12(9)14-11/h2-3,6,13-14H,4-5,7H2,1H3 |
| InChIKey | LYHQPJGFWRVZED-UHFFFAOYSA-N |
| Mol Weight | 186.26 g/mol |
| Molecular Formula | C12H14N2 |
| Exact Mass | 186.115698 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BpsyMdqC6Tk |
|---|---|
| Name | 6-Methyl-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 | 186.115698459 u |
| Formula | C12H14N2 |
| InChI | InChI=1S/C12H14N2/c1-8-2-3-11-10(6-8)9-4-5-13-7-12(9)14-11/h2-3,6,13-14H,4-5,7H2,1H3 |
| InChIKey | LYHQPJGFWRVZED-UHFFFAOYSA-N |
| Molecular Weight | 186.258 g/mol |
| SMILES | C1=2NC=3C=CC(C)=CC3C2CCNC1 |