| SpectraBase Compound ID | DXHkyWDubyX |
|---|---|
| InChI | InChI=1S/C14H17NO4/c1-3-13(16)12(9-10(2)15(18)19)14(17)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3 |
| InChIKey | MRGXNKNJJRCSJO-UHFFFAOYSA-N |
| Mol Weight | 263.29 g/mol |
| Molecular Formula | C14H17NO4 |
| Exact Mass | 263.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4uuUZcQbcxX |
|---|---|
| Name | 1,3-Pentanedione, 2-(2-nitropropyl)-1-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.115758027 u |
| Formula | C14H17NO4 |
| InChI | InChI=1S/C14H17NO4/c1-3-13(16)12(9-10(2)15(18)19)14(17)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3 |
| InChIKey | MRGXNKNJJRCSJO-UHFFFAOYSA-N |
| Molecular Weight | 263.293 g/mol |
| SMILES | C(N(=O)=O)(CC(C(=O)C=1C=CC=CC1)C(=O)CC)C |