![Propenone, 1-benzo[1,3]dioxol-5-yl-3-pyridin-2-yl-](/api/spectrum/DhMEe2cz8t0/structure.png?h=300&w=458 "Propenone, 1-benzo[1,3]dioxol-5-yl-3-pyridin-2-yl-")
| SpectraBase Compound ID | HN2jzGJ4FsC |
|---|---|
| InChI | InChI=1S/C15H11NO3/c17-13(6-5-12-3-1-2-8-16-12)11-4-7-14-15(9-11)19-10-18-14/h1-9H,10H2/b6-5+ |
| InChIKey | UJKWGBIWIBDQPR-AATRIKPKSA-N |
| Mol Weight | 253.26 g/mol |
| Molecular Formula | C15H11NO3 |
| Exact Mass | 253.073893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DhMEe2cz8t0 |
|---|---|
| Name | Propenone, 1-benzo[1,3]dioxol-5-yl-3-pyridin-2-yl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.073893215 u |
| Formula | C15H11NO3 |
| InChI | InChI=1S/C15H11NO3/c17-13(6-5-12-3-1-2-8-16-12)11-4-7-14-15(9-11)19-10-18-14/h1-9H,10H2/b6-5+ |
| InChIKey | UJKWGBIWIBDQPR-AATRIKPKSA-N |
| Molecular Weight | 253.257 g/mol |
| SMILES | C(\C=C\C1=CC=CC=N1)(C=1C=C2OCOC2=CC1)=O |