| SpectraBase Compound ID | GMjq4gY0Qyn |
|---|---|
| InChI | InChI=1S/C11H13NO4/c1-11(2,10(13)16-3)8-6-4-5-7-9(8)12(14)15/h4-7H,1-3H3 |
| InChIKey | OOARJEHFHURUIO-UHFFFAOYSA-N |
| Mol Weight | 223.23 g/mol |
| Molecular Formula | C11H13NO4 |
| Exact Mass | 223.084458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AV4dtnsACjS |
|---|---|
| Name | Phenylacetic acid, 2-nitro-.alpha.,.alpha.-dimethyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.084457899 u |
| Formula | C11H13NO4 |
| InChI | InChI=1S/C11H13NO4/c1-11(2,10(13)16-3)8-6-4-5-7-9(8)12(14)15/h4-7H,1-3H3 |
| InChIKey | OOARJEHFHURUIO-UHFFFAOYSA-N |
| Molecular Weight | 223.228 g/mol |
| SMILES | C1=C(C(=CC=C1)N(=O)=O)C(C(OC)=O)(C)C |