| SpectraBase Compound ID | 61Xr3mDUxpe |
|---|---|
| InChI | InChI=1S/C12H13N3O2/c1-14-5-4-12-10(7-14)9-6-8(15(16)17)2-3-11(9)13-12/h2-3,6,13H,4-5,7H2,1H3 |
| InChIKey | CEWFUCNGKDLKAQ-UHFFFAOYSA-N |
| Mol Weight | 231.25 g/mol |
| Molecular Formula | C12H13N3O2 |
| Exact Mass | 231.100777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4FHrJVqgAmC |
|---|---|
| Name | 6-Nitro-3-methyl-1,2,3,4-tetrahydro-.gamma.-carboline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.100776669 u |
| Formula | C12H13N3O2 |
| InChI | InChI=1S/C12H13N3O2/c1-14-5-4-12-10(7-14)9-6-8(15(16)17)2-3-11(9)13-12/h2-3,6,13H,4-5,7H2,1H3 |
| InChIKey | CEWFUCNGKDLKAQ-UHFFFAOYSA-N |
| Molecular Weight | 231.255 g/mol |
| SMILES | C12=C(C=C(C=C2)N(=O)=O)C=2CN(C)CCC2N1 |