| SpectraBase Compound ID | 6IOOAHV34mq |
|---|---|
| InChI | InChI=1S/C15H19NO6/c1-11(2)9-21-14(17)7-8-15(18)22-10-12-5-3-4-6-13(12)16(19)20/h3-6,11H,7-10H2,1-2H3 |
| InChIKey | YVEKQJGVCCNOCB-UHFFFAOYSA-N |
| Mol Weight | 309.32 g/mol |
| Molecular Formula | C15H19NO6 |
| Exact Mass | 309.121237 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5sA5SGlrj3A |
|---|---|
| Name | Succinic acid, isobutyl 2-nitrobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.121237330 u |
| Formula | C15H19NO6 |
| InChI | InChI=1S/C15H19NO6/c1-11(2)9-21-14(17)7-8-15(18)22-10-12-5-3-4-6-13(12)16(19)20/h3-6,11H,7-10H2,1-2H3 |
| InChIKey | YVEKQJGVCCNOCB-UHFFFAOYSA-N |
| Molecular Weight | 309.318 g/mol |
| SMILES | C1=CC=C(C(=C1)N(=O)=O)COC(=O)CCC(OCC(C)C)=O |