| SpectraBase Compound ID | 1YnO62MBDqt |
|---|---|
| InChI | InChI=1S/C18H18N2/c1-12-6-8-13(9-7-12)17-18-15(10-11-19-17)14-4-2-3-5-16(14)20-18/h2-9,17,19-20H,10-11H2,1H3 |
| InChIKey | LDNGMLUUTSJXLN-UHFFFAOYSA-N |
| Mol Weight | 262.36 g/mol |
| Molecular Formula | C18H18N2 |
| Exact Mass | 262.146999 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5uhovmRDrRL |
|---|---|
| Name | 1-(4-Methylphenyl)-2,3,4,9-tetrahydro-1H-.beta.-carboline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.146998588 u |
| Formula | C18H18N2 |
| InChI | InChI=1S/C18H18N2/c1-12-6-8-13(9-7-12)17-18-15(10-11-19-17)14-4-2-3-5-16(14)20-18/h2-9,17,19-20H,10-11H2,1H3 |
| InChIKey | LDNGMLUUTSJXLN-UHFFFAOYSA-N |
| Molecular Weight | 262.356 g/mol |
| SMILES | C1=2NC3=CC=CC=C3C2CCNC1C1=CC=C(C=C1)C |