| SpectraBase Compound ID | KqhQJHniUgK |
|---|---|
| InChI | InChI=1S/C20H29NO6/c1-3-26-19(22)10-8-6-4-5-7-9-11-20(23)27-15-17-12-13-18(21(24)25)16(2)14-17/h12-14H,3-11,15H2,1-2H3 |
| InChIKey | JTQZRIAKZBSOBH-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 | 1cDTDTWM5zA |
|---|---|
| Name | Sebacic acid, ethyl 3-methyl-4-nitrobenzyl 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/c1-3-26-19(22)10-8-6-4-5-7-9-11-20(23)27-15-17-12-13-18(21(24)25)16(2)14-17/h12-14H,3-11,15H2,1-2H3 |
| InChIKey | JTQZRIAKZBSOBH-UHFFFAOYSA-N |
| Molecular Weight | 379.453 g/mol |
| SMILES | C(CCCCCCC(OCC)=O)CC(OCC1=CC(=C(C=C1)N(=O)=O)C)=O |