| SpectraBase Compound ID | 2u8yk9FuaMW |
|---|---|
| InChI | InChI=1S/C17H15NO5/c19-16(14-7-9-15(10-8-14)18(21)22)12-23-17(20)11-6-13-4-2-1-3-5-13/h1-5,7-10H,6,11-12H2 |
| InChIKey | GTWBRKGVDSGPPK-UHFFFAOYSA-N |
| Mol Weight | 313.31 g/mol |
| Molecular Formula | C17H15NO5 |
| Exact Mass | 313.095023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BAIPrv2ftLT |
|---|---|
| Name | 4-Nitrobenzoylmethyl-.beta.-phenylpropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.095022582 u |
| Formula | C17H15NO5 |
| InChI | InChI=1S/C17H15NO5/c19-16(14-7-9-15(10-8-14)18(21)22)12-23-17(20)11-6-13-4-2-1-3-5-13/h1-5,7-10H,6,11-12H2 |
| InChIKey | GTWBRKGVDSGPPK-UHFFFAOYSA-N |
| Molecular Weight | 313.309 g/mol |
| SMILES | C1=CC(=CC=C1)CCC(OCC(C=1C=CC(=CC1)N(=O)=O)=O)=O |