| SpectraBase Compound ID | J0Hza3FWQsl |
|---|---|
| InChI | InChI=1S/C19H26ClNO6/c1-2-26-18(22)9-7-5-3-4-6-8-10-19(23)27-14-15-11-12-16(20)13-17(15)21(24)25/h11-13H,2-10,14H2,1H3 |
| InChIKey | NCBXTJRIHRCHLP-UHFFFAOYSA-N |
| Mol Weight | 399.87 g/mol |
| Molecular Formula | C19H26ClNO6 |
| Exact Mass | 399.144865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dib4eIkMEE8 |
|---|---|
| Name | Sebacic acid, ethyl 2-nitro-4-chlorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 399.144865255 u |
| Formula | C19H26ClNO6 |
| InChI | InChI=1S/C19H26ClNO6/c1-2-26-18(22)9-7-5-3-4-6-8-10-19(23)27-14-15-11-12-16(20)13-17(15)21(24)25/h11-13H,2-10,14H2,1H3 |
| InChIKey | NCBXTJRIHRCHLP-UHFFFAOYSA-N |
| Molecular Weight | 399.871 g/mol |
| SMILES | C(CCCCCCC(OCC)=O)CC(OCC1=CC=C(C=C1N(=O)=O)Cl)=O |