| SpectraBase Compound ID | KCfZaANT3yW |
|---|---|
| InChI | InChI=1S/C16H12ClNO3/c1-10(19)12-3-4-13(17)14(7-12)18-8-11-2-5-15-16(6-11)21-9-20-15/h2-8H,9H2,1H3/b18-8+ |
| InChIKey | TXILCUXRKPWAQO-QGMBQPNBSA-N |
| Mol Weight | 301.73 g/mol |
| Molecular Formula | C16H12ClNO3 |
| Exact Mass | 301.050571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J2Xd9c9GHc3 |
|---|---|
| Name | 4'-Chloro-3'-(piperonylideneamino)acetophenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.050570947 u |
| Formula | C16H12ClNO3 |
| InChI | InChI=1S/C16H12ClNO3/c1-10(19)12-3-4-13(17)14(7-12)18-8-11-2-5-15-16(6-11)21-9-20-15/h2-8H,9H2,1H3/b18-8+ |
| InChIKey | TXILCUXRKPWAQO-QGMBQPNBSA-N |
| Molecular Weight | 301.729 g/mol |
| SMILES | C12=CC(=CC=C1OCO2)\C=N\C=1C=C(C=CC1Cl)C(C)=O |