| SpectraBase Compound ID | FF7rUaGe3nz |
|---|---|
| InChI | InChI=1S/C20H29NO6/c1-2-3-4-5-6-7-14-26-19(22)11-12-20(23)27-15-13-17-9-8-10-18(16-17)21(24)25/h8-10,16H,2-7,11-15H2,1H3 |
| InChIKey | UHVCABXKSACGNB-UHFFFAOYSA-N |
| Mol Weight | 379.45 g/mol |
| Molecular Formula | C20H29NO6 |
| Exact Mass | 379.199488 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BpUVbnzdfel |
|---|---|
| Name | Succinic acid, 2-(3-nitrophenyl)ethyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 379.199487652 u |
| Formula | C20H29NO6 |
| InChI | InChI=1S/C20H29NO6/c1-2-3-4-5-6-7-14-26-19(22)11-12-20(23)27-15-13-17-9-8-10-18(16-17)21(24)25/h8-10,16H,2-7,11-15H2,1H3 |
| InChIKey | UHVCABXKSACGNB-UHFFFAOYSA-N |
| Molecular Weight | 379.453 g/mol |
| SMILES | C(CCC(OCCC1=CC=CC(=C1)N(=O)=O)=O)(OCCCCCCCC)=O |