| SpectraBase Compound ID | 78DdsmfGCjA |
|---|---|
| InChI | InChI=1S/C17H17NO3/c1-13(19)17(15-10-6-3-7-11-15)16(12-18(20)21)14-8-4-2-5-9-14/h2-11,16-17H,12H2,1H3/t16-,17-/m0/s1 |
| InChIKey | IISSKWXIMIWGJZ-IRXDYDNUSA-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 | 4DnU7ImxBWt |
|---|---|
| Name | (3R,4R)-5-Nitro-3,4-diphenyl-2-pentanone |
| 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)17(15-10-6-3-7-11-15)16(12-18(20)21)14-8-4-2-5-9-14/h2-11,16-17H,12H2,1H3/t16-,17-/m0/s1 |
| InChIKey | IISSKWXIMIWGJZ-IRXDYDNUSA-N |
| SMILES | C(N(=O)=O)[C@]([C@@](C(=O)C)(C=1C=CC=CC1)[H])(C1=CC=CC=C1)[H] |