| SpectraBase Compound ID | Hqa7aLrKTOR |
|---|---|
| InChI | InChI=1S/C17H17NO3/c1-13(17(19)15-10-6-3-7-11-15)16(12-18(20)21)14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3/t13-,16-/m0/s1 |
| InChIKey | FVCULXKBOZLKOI-BBRMVZONSA-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 | IaJmoxDgwhF |
|---|---|
| Name | (2S*,3S*)-1,3-Diphenyl-2-methyl-4-nitro-1-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(17(19)15-10-6-3-7-11-15)16(12-18(20)21)14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3/t13-,16-/m0/s1 |
| InChIKey | FVCULXKBOZLKOI-BBRMVZONSA-N |
| SMILES | C(N(=O)=O)[C@@]([C@@](C(=O)C=1C=CC=CC1)(C)[H])(C1=CC=CC=C1)[H] |