| SpectraBase Compound ID | 2X0Ikmv09hR |
|---|---|
| InChI | InChI=1S/C19H23NO2.C2H2O4/c1-21-18-12-6-9-15(19(18)22-2)13-20-17-11-5-8-14-7-3-4-10-16(14)17;3-1(4)2(5)6/h3-4,6-7,9-10,12,17,20H,5,8,11,13H2,1-2H3;(H,3,4)(H,5,6) |
| InChIKey | QJZAGLAZIFVBNG-UHFFFAOYSA-N |
| Mol Weight | 387.43 g/mol |
| Molecular Formula | C21H25NO6 |
| Exact Mass | 387.168188 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fjb82RozgP4 |
|---|---|
| Name | N-(2,3-Dimethoxybenzyl)-1,2,3,4-tetrahydro-1-naphthalenamine oxalate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 387.168187523 u |
| Formula | C21H25NO6 |
| InChI | InChI=1S/C19H23NO2.C2H2O4/c1-21-18-12-6-9-15(19(18)22-2)13-20-17-11-5-8-14-7-3-4-10-16(14)17;3-1(4)2(5)6/h3-4,6-7,9-10,12,17,20H,5,8,11,13H2,1-2H3;(H,3,4)(H,5,6) |
| InChIKey | QJZAGLAZIFVBNG-UHFFFAOYSA-N |
| Molecular Weight | 387.432 g/mol |
| SMILES | OC(C(O)=O)=O.N(CC=1C(=C(OC)C=CC1)OC)C1C2=C(C=CC=C2)CCC1 |