| SpectraBase Compound ID | BoVhXM3AnNR |
|---|---|
| InChI | InChI=1S/C16H21NO6/c1-11(2)12(3)23-16(19)8-7-15(18)22-10-13-5-4-6-14(9-13)17(20)21/h4-6,9,11-12H,7-8,10H2,1-3H3 |
| InChIKey | RDGDBSPRCWADRH-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 | H62Sez62qbA |
|---|---|
| Name | Succinic acid, 3-methylbut-2-yl 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)12(3)23-16(19)8-7-15(18)22-10-13-5-4-6-14(9-13)17(20)21/h4-6,9,11-12H,7-8,10H2,1-3H3 |
| InChIKey | RDGDBSPRCWADRH-UHFFFAOYSA-N |
| Molecular Weight | 323.345 g/mol |
| SMILES | C(CC(OC(C(C)C)C)=O)C(OCC1=CC=CC(=C1)N(=O)=O)=O |