| SpectraBase Compound ID | 23Nsl2wBm8w |
|---|---|
| InChI | InChI=1S/C16H21NO6/c1-11(2)9-22-15(18)6-7-16(19)23-10-13-5-4-12(3)14(8-13)17(20)21/h4-5,8,11H,6-7,9-10H2,1-3H3 |
| InChIKey | MGNDJLKWHRSJLY-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 | 6Y5PqkeaFqp |
|---|---|
| Name | Succinic acid, isobutyl 4-methyl-3-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/c1-11(2)9-22-15(18)6-7-16(19)23-10-13-5-4-12(3)14(8-13)17(20)21/h4-5,8,11H,6-7,9-10H2,1-3H3 |
| InChIKey | MGNDJLKWHRSJLY-UHFFFAOYSA-N |
| Molecular Weight | 323.345 g/mol |
| SMILES | C(CCC(OCC=1C=C(C(=CC1)C)N(=O)=O)=O)(OCC(C)C)=O |