| SpectraBase Compound ID | 5t9yWmq5WnG |
|---|---|
| InChI | InChI=1S/C18H14N2O/c21-18-17-15(14-8-4-5-9-16(14)19-17)10-11-20(18)12-13-6-2-1-3-7-13/h1-11,19H,12H2 |
| InChIKey | NQKSGOWKOCEEPR-UHFFFAOYSA-N |
| Mol Weight | 274.32 g/mol |
| Molecular Formula | C18H14N2O |
| Exact Mass | 274.110613 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4aCTWoRcaDU |
|---|---|
| Name | 2-Benzyl-2,9-dihydro-1H-.beta.-carbolin-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.110613078 u |
| Formula | C18H14N2O |
| InChI | InChI=1S/C18H14N2O/c21-18-17-15(14-8-4-5-9-16(14)19-17)10-11-20(18)12-13-6-2-1-3-7-13/h1-11,19H,12H2 |
| InChIKey | NQKSGOWKOCEEPR-UHFFFAOYSA-N |
| SMILES | C12=C(C=CN(C2=O)CC=2C=CC=CC2)C=2C=CC=CC2N1 |