| SpectraBase Compound ID | 6PI545xsrQG |
|---|---|
| InChI | InChI=1S/C11H11NO4/c1-8(2)7-11(13)16-10-5-3-9(4-6-10)12(14)15/h3-7H,1-2H3 |
| InChIKey | UWHFXNUVALKMIU-UHFFFAOYSA-N |
| Mol Weight | 221.21 g/mol |
| Molecular Formula | C11H11NO4 |
| Exact Mass | 221.068808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2UhnYcupins |
|---|---|
| Name | 3-Methylbut-2-enoic acid, 4-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.068807834 u |
| Formula | C11H11NO4 |
| InChI | InChI=1S/C11H11NO4/c1-8(2)7-11(13)16-10-5-3-9(4-6-10)12(14)15/h3-7H,1-2H3 |
| InChIKey | UWHFXNUVALKMIU-UHFFFAOYSA-N |
| Molecular Weight | 221.212 g/mol |
| SMILES | CC(C)=CC(OC=1C=CC(=CC1)N(=O)=O)=O |