![N-[9'-Deoxy-epicinchonin-9'-yl]-3,5-dimethoxybenzamide](/api/spectrum/Un0PgAORbz/structure.png?h=300&w=458 "N-[9'-Deoxy-epicinchonin-9'-yl]-3,5-dimethoxybenzamide")
| SpectraBase Compound ID | LWHtrerBdw5 |
|---|---|
| InChI | InChI=1S/C28H31N3O3/c1-4-18-17-31-12-10-19(18)15-26(31)27(24-9-11-29-25-8-6-5-7-23(24)25)30-28(32)20-13-21(33-2)16-22(14-20)34-3/h4-9,11,13-14,16,18-19,26-27H,1,10,12,15,17H2,2-3H3,(H,30,32)/t18-,19-,26+,27+/m0/s1 |
| InChIKey | RHJIDPWJMWMGHS-CPAHJZNRSA-N |
| Mol Weight | 457.57 g/mol |
| Molecular Formula | C28H31N3O3 |
| Exact Mass | 457.236542 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Un0PgAORbz |
|---|---|
| Name | N-[9'-Deoxy-epicinchonin-9'-yl]-3,5-dimethoxybenzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 457.236541867 u |
| Formula | C28H31N3O3 |
| InChI | InChI=1S/C28H31N3O3/c1-4-18-17-31-12-10-19(18)15-26(31)27(24-9-11-29-25-8-6-5-7-23(24)25)30-28(32)20-13-21(33-2)16-22(14-20)34-3/h4-9,11,13-14,16,18-19,26-27H,1,10,12,15,17H2,2-3H3,(H,30,32)/t18-,19-,26+,27+/m0/s1 |
| InChIKey | RHJIDPWJMWMGHS-CPAHJZNRSA-N |
| Molecular Weight | 457.574 g/mol |
| SMILES | [C@]([C@@]1(N2C[C@@]([C@](C1)(CC2)[H])(C=C)[H])[H])(NC(C1=CC(OC)=CC(=C1)OC)=O)(C1=C2C(C=CC=C2)=NC=C1)[H] |