| SpectraBase Compound ID | HibkVwFWbgo |
|---|---|
| InChI | InChI=1S/C16H13NO3/c17-13-5-3-12(4-6-13)14(18)7-1-11-2-8-15-16(9-11)20-10-19-15/h1-9H,10,17H2/b7-1+ |
| InChIKey | HRRYLMJOPQRTKQ-LREOWRDNSA-N |
| Mol Weight | 267.28 g/mol |
| Molecular Formula | C16H13NO3 |
| Exact Mass | 267.089543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GyChfJbPmki |
|---|---|
| Name | (2E)-1-(4-Aminophenyl)-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.089543280 u |
| Formula | C16H13NO3 |
| InChI | InChI=1S/C16H13NO3/c17-13-5-3-12(4-6-13)14(18)7-1-11-2-8-15-16(9-11)20-10-19-15/h1-9H,10,17H2/b7-1+ |
| InChIKey | HRRYLMJOPQRTKQ-LREOWRDNSA-N |
| Molecular Weight | 267.284 g/mol |
| SMILES | C(\C=C\C=1C=C2OCOC2=CC1)(=O)C=1C=CC(=CC1)N |