| SpectraBase Compound ID | 7GUql5XMc0c |
|---|---|
| InChI | InChI=1S/C13H12N2O4/c16-13(11-6-7-12(19-11)15(17)18)14-9-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,14,16) |
| InChIKey | SJKVNWXSVBJHHH-UHFFFAOYSA-N |
| Mol Weight | 260.25 g/mol |
| Molecular Formula | C13H12N2O4 |
| Exact Mass | 260.079707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Je6HSv4g5IV |
|---|---|
| Name | 5-Nitro-N-(2-phenylethyl)-2-furamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.079706870 u |
| Formula | C13H12N2O4 |
| InChI | InChI=1S/C13H12N2O4/c16-13(11-6-7-12(19-11)15(17)18)14-9-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,14,16) |
| InChIKey | SJKVNWXSVBJHHH-UHFFFAOYSA-N |
| Molecular Weight | 260.249 g/mol |
| SMILES | C=1(N(=O)=O)OC(=CC1)C(=O)NCCC1=CC=CC=C1 |