| SpectraBase Compound ID | 7ws37bBKCoI |
|---|---|
| InChI | InChI=1S/C17H17NO4/c1-12(2)17(19)22-16-9-8-14(11-15(16)18(20)21)10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3 |
| InChIKey | FTBSSYQIOUFTFU-UHFFFAOYSA-N |
| Mol Weight | 299.33 g/mol |
| Molecular Formula | C17H17NO4 |
| Exact Mass | 299.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8u3cBjK1Vtk |
|---|---|
| Name | 4-Benzyl-2-nitrophenol, 2-methylpropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.115758027 u |
| Formula | C17H17NO4 |
| InChI | InChI=1S/C17H17NO4/c1-12(2)17(19)22-16-9-8-14(11-15(16)18(20)21)10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3 |
| InChIKey | FTBSSYQIOUFTFU-UHFFFAOYSA-N |
| SMILES | C1(N(=O)=O)=C(C=CC(=C1)CC1=CC=CC=C1)OC(C(C)C)=O |