| SpectraBase Compound ID | EtlnXDKwQJp |
|---|---|
| InChI | InChI=1S/C20H27N3O3/c1-6-7-10-13-23-15-12-9-8-11-14(15)16(22-23)18(24)21-17(19(25)26-5)20(2,3)4/h6,8-9,11-12,17H,1,7,10,13H2,2-5H3,(H,21,24) |
| InChIKey | LWOCBHBFWNGPGM-UHFFFAOYSA-N |
| Mol Weight | 357.45 g/mol |
| Molecular Formula | C20H27N3O3 |
| Exact Mass | 357.205242 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C8bJxSFEvSz |
|---|---|
| Name | 5cl-adb-A (- HC l ) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 357.205241738 u |
| Formula | C20H27N3O3 |
| InChI | InChI=1S/C20H27N3O3/c1-6-7-10-13-23-15-12-9-8-11-14(15)16(22-23)18(24)21-17(19(25)26-5)20(2,3)4/h6,8-9,11-12,17H,1,7,10,13H2,2-5H3,(H,21,24) |
| InChIKey | LWOCBHBFWNGPGM-UHFFFAOYSA-N |
| Molecular Weight | 357.454 g/mol |
| SMILES | C=1(C=2C(N(N1)CCCC=C)=CC=CC2)C(NC(C(C)(C)C)C(OC)=O)=O |