| SpectraBase Compound ID | B0Xs4LLPIIH |
|---|---|
| InChI | InChI=1S/C17H24N2O2/c18-15-7-3-5-13(11-15)17(20)21-12-14-6-4-10-19-9-2-1-8-16(14)19/h3,5,7,11,14,16H,1-2,4,6,8-10,12,18H2 |
| InChIKey | QMUPZBBJTKGJIF-UHFFFAOYSA-N |
| Mol Weight | 288.39 g/mol |
| Molecular Formula | C17H24N2O2 |
| Exact Mass | 288.183778 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ERTEFZ9Ad88 |
|---|---|
| Name | 3-Amino-benzoic acid octahydro-quinolizin-1-ylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.183778019 u |
| Formula | C17H24N2O2 |
| InChI | InChI=1S/C17H24N2O2/c18-15-7-3-5-13(11-15)17(20)21-12-14-6-4-10-19-9-2-1-8-16(14)19/h3,5,7,11,14,16H,1-2,4,6,8-10,12,18H2 |
| InChIKey | QMUPZBBJTKGJIF-UHFFFAOYSA-N |
| SMILES | C1CCN2C(C1)C(COC(C1=CC(=CC=C1)N)=O)CCC2 |