![Tert-butyl [(3S)-3-amino-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetate](/api/spectrum/Kws4hEomVS9/structure.png?h=300&w=458 "Tert-butyl [(3S)-3-amino-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetate")
| SpectraBase Compound ID | I8rc7ZLPhV7 |
|---|---|
| InChI | InChI=1S/C16H22N2O3/c1-16(2,3)21-14(19)10-18-13-7-5-4-6-11(13)8-9-12(17)15(18)20/h4-7,12H,8-10,17H2,1-3H3/t12-/m0/s1 |
| InChIKey | QTEDVVHLTMELTB-LBPRGKRZSA-N |
| Mol Weight | 290.36 g/mol |
| Molecular Formula | C16H22N2O3 |
| Exact Mass | 290.163043 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Kws4hEomVS9 |
|---|---|
| Name | Tert-butyl [(3S)-3-amino-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.163042573 u |
| Formula | C16H22N2O3 |
| InChI | InChI=1S/C16H22N2O3/c1-16(2,3)21-14(19)10-18-13-7-5-4-6-11(13)8-9-12(17)15(18)20/h4-7,12H,8-10,17H2,1-3H3/t12-/m0/s1 |
| InChIKey | QTEDVVHLTMELTB-LBPRGKRZSA-N |
| SMILES | C(CN1C2=C(CC[C@@](C1=O)(N)[H])C=CC=C2)(=O)OC(C)(C)C |