| SpectraBase Compound ID | 1CAA5Q0Jszk |
|---|---|
| InChI | InChI=1S/C15H13NO5/c17-13-7-2-1-6-12(13)15(19)9-14(18)10-4-3-5-11(8-10)16(20)21/h1-8,14,17-18H,9H2 |
| InChIKey | BPLSZSBAEDCNJP-UHFFFAOYSA-N |
| Mol Weight | 287.27 g/mol |
| Molecular Formula | C15H13NO5 |
| Exact Mass | 287.079373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5czyPCXuCBH |
|---|---|
| Name | 3-Hydroxy-1-(2-hydroxyphenyl)-3-(3-nitrophenyl)propan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.079372518 u |
| Formula | C15H13NO5 |
| InChI | InChI=1S/C15H13NO5/c17-13-7-2-1-6-12(13)15(19)9-14(18)10-4-3-5-11(8-10)16(20)21/h1-8,14,17-18H,9H2 |
| InChIKey | BPLSZSBAEDCNJP-UHFFFAOYSA-N |
| SMILES | C1(N(=O)=O)=CC(C(CC(C=2C(O)=CC=CC2)=O)O)=CC=C1 |