| SpectraBase Compound ID | 8SkiKMpeMj3 |
|---|---|
| InChI | InChI=1S/C13H15N3.C4H4O4/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16;5-3(6)1-2-4(7)8/h1-6,14H,7-10H2;1-2H,(H,5,6)(H,7,8)/b;2-1- |
| InChIKey | QYJJDHZHSCTBII-BTJKTKAUSA-N |
| Mol Weight | 329.36 g/mol |
| Molecular Formula | C17H19N3O4 |
| Exact Mass | 329.137556 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CKNWKWIudjy |
|---|---|
| Name | Quipazine maleate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.137556100 u |
| Formula | C17H19N3O4 |
| InChI | InChI=1S/C13H15N3.C4H4O4/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16;5-3(6)1-2-4(7)8/h1-6,14H,7-10H2;1-2H,(H,5,6)(H,7,8)/b;2-1- |
| InChIKey | QYJJDHZHSCTBII-BTJKTKAUSA-N |
| Molecular Weight | 329.356 g/mol |
| SMILES | OC(\C=C/C(O)=O)=O.N1CCN(CC1)C1=NC2=CC=CC=C2C=C1 |