![1,3-Butanedione, 2-[(4-nitrophenyl)methyl]-1-phenyl-](/api/spectrum/GqERHZPfZ61/structure.png?h=300&w=458 "1,3-Butanedione, 2-[(4-nitrophenyl)methyl]-1-phenyl-")
| SpectraBase Compound ID | 9a5R6Ec7CX2 |
|---|---|
| InChI | InChI=1S/C17H15NO4/c1-12(19)16(17(20)14-5-3-2-4-6-14)11-13-7-9-15(10-8-13)18(21)22/h2-10,16H,11H2,1H3 |
| InChIKey | UUBZZRCTPYDSFL-UHFFFAOYSA-N |
| Mol Weight | 297.31 g/mol |
| Molecular Formula | C17H15NO4 |
| Exact Mass | 297.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GqERHZPfZ61 |
|---|---|
| Name | 1,3-Butanedione, 2-[(4-nitrophenyl)methyl]-1-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.100107963 u |
| Formula | C17H15NO4 |
| InChI | InChI=1S/C17H15NO4/c1-12(19)16(17(20)14-5-3-2-4-6-14)11-13-7-9-15(10-8-13)18(21)22/h2-10,16H,11H2,1H3 |
| InChIKey | UUBZZRCTPYDSFL-UHFFFAOYSA-N |
| Molecular Weight | 297.310 g/mol |
| SMILES | C1(N(=O)=O)=CC=C(CC(C(=O)C=2C=CC=CC2)C(=O)C)C=C1 |