| SpectraBase Compound ID | H0XYd0SzS0s |
|---|---|
| InChI | InChI=1S/C16H21NO6/c1-2-3-10-22-15(18)7-8-16(19)23-11-9-13-5-4-6-14(12-13)17(20)21/h4-6,12H,2-3,7-11H2,1H3 |
| InChIKey | IVQORNAVBPDNEJ-UHFFFAOYSA-N |
| Mol Weight | 323.35 g/mol |
| Molecular Formula | C16H21NO6 |
| Exact Mass | 323.136887 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HZxoaNNAeuA |
|---|---|
| Name | Succinic acid, butyl 2-(3-nitrophenyl)ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.136887394 u |
| Formula | C16H21NO6 |
| InChI | InChI=1S/C16H21NO6/c1-2-3-10-22-15(18)7-8-16(19)23-11-9-13-5-4-6-14(12-13)17(20)21/h4-6,12H,2-3,7-11H2,1H3 |
| InChIKey | IVQORNAVBPDNEJ-UHFFFAOYSA-N |
| Molecular Weight | 323.345 g/mol |
| SMILES | C(CCC(OCCC1=CC=CC(=C1)N(=O)=O)=O)(OCCCC)=O |