| SpectraBase Compound ID | AgjZkPW9nIN |
|---|---|
| InChI | InChI=1S/C11H13NO3/c1-8(9(2)13)7-10-3-5-11(6-4-10)12(14)15/h3-6,8H,7H2,1-2H3 |
| InChIKey | NHFRZBQSUNGUJB-UHFFFAOYSA-N |
| Mol Weight | 207.23 g/mol |
| Molecular Formula | C11H13NO3 |
| Exact Mass | 207.089543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bpe84m7i3pu |
|---|---|
| Name | (R)-and (S)-3-Methyl-4-(4'-nitrophenyl)butan-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.089543280 u |
| Formula | C11H13NO3 |
| InChI | InChI=1S/C11H13NO3/c1-8(9(2)13)7-10-3-5-11(6-4-10)12(14)15/h3-6,8H,7H2,1-2H3 |
| InChIKey | NHFRZBQSUNGUJB-UHFFFAOYSA-N |
| Molecular Weight | 207.229 g/mol |
| SMILES | C=1(N(=O)=O)C=CC(CC(C(=O)C)C)=CC1 |