| SpectraBase Compound ID | 1VRxAqUG6bt |
|---|---|
| InChI | InChI=1S/C16H15NO4/c1-12-14(17(19)20)8-5-9-15(12)21-16(18)11-10-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3 |
| InChIKey | ZBXMVDCLYMAGFD-UHFFFAOYSA-N |
| Mol Weight | 285.3 g/mol |
| Molecular Formula | C16H15NO4 |
| Exact Mass | 285.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F6p9sjiJOVd |
|---|---|
| Name | 2-Methyl-3-nitrophenyl .beta.-phenylpropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.100107963 u |
| Formula | C16H15NO4 |
| InChI | InChI=1S/C16H15NO4/c1-12-14(17(19)20)8-5-9-15(12)21-16(18)11-10-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3 |
| InChIKey | ZBXMVDCLYMAGFD-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC=C1)CCC(OC1=CC=CC(=C1C)N(=O)=O)=O |