| SpectraBase Compound ID | FcX673Zwozo |
|---|---|
| InChI | InChI=1S/C10H12N2O4/c1-16-10(13)5-3-7-2-4-8(11)6-9(7)12(14)15/h2,4,6H,3,5,11H2,1H3 |
| InChIKey | XVJFKGAFSKIESR-UHFFFAOYSA-N |
| Mol Weight | 224.22 g/mol |
| Molecular Formula | C10H12N2O4 |
| Exact Mass | 224.079707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 66bOG70NenH |
|---|---|
| Name | 3-Phenpropionic acid, 2'-nitro-4'-amino-, methyl(ester) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.079706870 u |
| Formula | C10H12N2O4 |
| InChI | InChI=1S/C10H12N2O4/c1-16-10(13)5-3-7-2-4-8(11)6-9(7)12(14)15/h2,4,6H,3,5,11H2,1H3 |
| InChIKey | XVJFKGAFSKIESR-UHFFFAOYSA-N |
| Molecular Weight | 224.216 g/mol |
| SMILES | C1(=C(C=CC(=C1)N)CCC(=O)OC)N(=O)=O |