| SpectraBase Compound ID | 85sJ9DLu2Kr |
|---|---|
| InChI | InChI=1S/C11H13NO5/c1-2-17-11(14)6-4-8-3-5-10(13)9(7-8)12(15)16/h3,5,7,13H,2,4,6H2,1H3 |
| InChIKey | MBGHJGVNPBUZSI-UHFFFAOYSA-N |
| Mol Weight | 239.23 g/mol |
| Molecular Formula | C11H13NO5 |
| Exact Mass | 239.079373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BnazC5hxyNB |
|---|---|
| Name | 4-Hydroxy-3-nitrocinnamic acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.079372518 u |
| Formula | C11H13NO5 |
| InChI | InChI=1S/C11H13NO5/c1-2-17-11(14)6-4-8-3-5-10(13)9(7-8)12(15)16/h3,5,7,13H,2,4,6H2,1H3 |
| InChIKey | MBGHJGVNPBUZSI-UHFFFAOYSA-N |
| Molecular Weight | 239.227 g/mol |
| SMILES | OC=1C(=CC(=CC1)CCC(OCC)=O)N(=O)=O |