![4-[(E)-[(E)-[amino(nitramido)methylene]hydrazono]methyl]benzoic acid methyl ester](/api/spectrum/KNupjDHnoNt/structure.png?h=300&w=458 "4-[(E)-[(E)-[amino(nitramido)methylene]hydrazono]methyl]benzoic acid methyl ester")
| SpectraBase Compound ID | WpVATgo2fK |
|---|---|
| InChI | InChI=1S/C10H11N5O4/c1-19-9(16)8-4-2-7(3-5-8)6-12-13-10(11)14-15(17)18/h2-6H,1H3,(H3,11,13,14)/b12-6+ |
| InChIKey | NXRIFRGRNZDTAX-WUXMJOGZSA-N |
| Mol Weight | 265.23 g/mol |
| Molecular Formula | C10H11N5O4 |
| Exact Mass | 265.081104 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KNupjDHnoNt |
|---|---|
| Name | 4-[(E)-[(E)-[amino(nitramido)methylene]hydrazono]methyl]benzoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.081103850 u |
| Formula | C10H11N5O4 |
| InChI | InChI=1S/C10H11N5O4/c1-19-9(16)8-4-2-7(3-5-8)6-12-13-10(11)14-15(17)18/h2-6H,1H3,(H3,11,13,14)/b12-6+ |
| InChIKey | NXRIFRGRNZDTAX-WUXMJOGZSA-N |
| SMILES | COC(C1=CC=C(\C=N\N\C(=N\N(=O)=O)N)C=C1)=O |