| SpectraBase Compound ID | A5sOBll29UW |
|---|---|
| InChI | InChI=1S/C16H21NO6/c1-3-4-9-22-15(18)7-8-16(19)23-11-13-5-6-14(17(20)21)12(2)10-13/h5-6,10H,3-4,7-9,11H2,1-2H3 |
| InChIKey | FLYDIYGKHGSDBK-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 | DOY7sAnT9dd |
|---|---|
| Name | Succinic acid, butyl 3-methyl-4-nitrobenzyl 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/c1-3-4-9-22-15(18)7-8-16(19)23-11-13-5-6-14(17(20)21)12(2)10-13/h5-6,10H,3-4,7-9,11H2,1-2H3 |
| InChIKey | FLYDIYGKHGSDBK-UHFFFAOYSA-N |
| Molecular Weight | 323.345 g/mol |
| SMILES | C(CCC(OCC1=CC=C(C(=C1)C)N(=O)=O)=O)(OCCCC)=O |