| SpectraBase Compound ID | AjeQThnVF0I |
|---|---|
| InChI | InChI=1S/C15H15N3O4/c1-12-16-11-14(18(20)21)17(12)9-10-22-15(19)8-7-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3/b8-7+ |
| InChIKey | RHVQGNOZEPBSSD-BQYQJAHWSA-N |
| Mol Weight | 301.3 g/mol |
| Molecular Formula | C15H15N3O4 |
| Exact Mass | 301.106256 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DDSqM2vbVVs |
|---|---|
| Name | (E)-3-Phenyl-2-propenoic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.106255971 u |
| Formula | C15H15N3O4 |
| InChI | InChI=1S/C15H15N3O4/c1-12-16-11-14(18(20)21)17(12)9-10-22-15(19)8-7-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3/b8-7+ |
| InChIKey | RHVQGNOZEPBSSD-BQYQJAHWSA-N |
| SMILES | C=1(N(C(C)=NC1)CCOC(\C=C\C1=CC=CC=C1)=O)N(=O)=O |