| SpectraBase Compound ID | BZZSIDHefJ8 |
|---|---|
| InChI | InChI=1S/C17H23N3O/c1-4-5-8-11-20-15-10-7-6-9-14(15)16(19-20)17(21)18-12-13(2)3/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,18,21) |
| InChIKey | MZENJISVDFKKJO-UHFFFAOYSA-N |
| Mol Weight | 285.39 g/mol |
| Molecular Formula | C17H23N3O |
| Exact Mass | 285.184112 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K5bYfRN6Nbm |
|---|---|
| Name | ab-Pinaca (-CONH3) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.184112372 u |
| Formula | C17H23N3O |
| InChI | InChI=1S/C17H23N3O/c1-4-5-8-11-20-15-10-7-6-9-14(15)16(19-20)17(21)18-12-13(2)3/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,18,21) |
| InChIKey | MZENJISVDFKKJO-UHFFFAOYSA-N |
| SMILES | C=1(C2=C(N(N1)CCCCC)C=CC=C2)C(NC=C(C)C)=O |