![6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-one](/api/spectrum/9J2jKNod1Ms/structure.png?h=300&w=458 "6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-one")
| SpectraBase Compound ID | JX2YfFYv4GA |
|---|---|
| InChI | InChI=1S/C12H12N2O/c1-7-2-3-10-9(6-7)8-4-5-13-12(15)11(8)14-10/h2-3,6,14H,4-5H2,1H3,(H,13,15) |
| InChIKey | XVVJFCFUHVBAEC-UHFFFAOYSA-N |
| Mol Weight | 200.24 g/mol |
| Molecular Formula | C12H12N2O |
| Exact Mass | 200.094963 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9J2jKNod1Ms |
|---|---|
| Name | 6-Methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-B]indole-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.094963013 u |
| Formula | C12H12N2O |
| InChI | InChI=1S/C12H12N2O/c1-7-2-3-10-9(6-7)8-4-5-13-12(15)11(8)14-10/h2-3,6,14H,4-5H2,1H3,(H,13,15) |
| InChIKey | XVVJFCFUHVBAEC-UHFFFAOYSA-N |
| Molecular Weight | 200.241 g/mol |
| SMILES | N1C=2C=CC(=CC2C2=C1C(NCC2)=O)C |