| SpectraBase Compound ID | D2gHWk0JhzX |
|---|---|
| InChI | InChI=1S/C17H17NO3/c1-13(19)16(11-14-5-3-2-4-6-14)12-15-7-9-17(10-8-15)18(20)21/h2-10,16H,11-12H2,1H3 |
| InChIKey | RSNIDOBTIROYLW-UHFFFAOYSA-N |
| Mol Weight | 283.33 g/mol |
| Molecular Formula | C17H17NO3 |
| Exact Mass | 283.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6QH2Dix5e4r |
|---|---|
| Name | 3-(4-Nitrobenzyl)-4-phenyl-2-butanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.120843408 u |
| Formula | C17H17NO3 |
| InChI | InChI=1S/C17H17NO3/c1-13(19)16(11-14-5-3-2-4-6-14)12-15-7-9-17(10-8-15)18(20)21/h2-10,16H,11-12H2,1H3 |
| InChIKey | RSNIDOBTIROYLW-UHFFFAOYSA-N |
| SMILES | C1(N(=O)=O)=CC=C(CC(C(=O)C)CC=2C=CC=CC2)C=C1 |