| SpectraBase Compound ID | FKO4Ve2ZlfD |
|---|---|
| InChI | InChI=1S/C20H29NO6/c1-16(2)15-26-19(22)13-7-5-3-4-6-8-14-20(23)27-18-12-10-9-11-17(18)21(24)25/h9-12,16H,3-8,13-15H2,1-2H3 |
| InChIKey | ZRZARKONAQXODI-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 | 6WamuYz4LU0 |
|---|---|
| Name | Sebacic acid, isobutyl 2-nitrophenyl 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/c1-16(2)15-26-19(22)13-7-5-3-4-6-8-14-20(23)27-18-12-10-9-11-17(18)21(24)25/h9-12,16H,3-8,13-15H2,1-2H3 |
| InChIKey | ZRZARKONAQXODI-UHFFFAOYSA-N |
| Molecular Weight | 379.453 g/mol |
| SMILES | C(CCCCCCCC(OC1=CC=CC=C1N(=O)=O)=O)C(OCC(C)C)=O |