| SpectraBase Compound ID | GdPB8k5fAOJ |
|---|---|
| InChI | InChI=1S/C20H27ClO4/c1-2-3-4-5-6-7-8-15-24-19(22)13-14-20(23)25-16-17-9-11-18(21)12-10-17/h9-14H,2-8,15-16H2,1H3/b14-13+ |
| InChIKey | GSSADWHMWXCKBX-BUHFOSPRSA-N |
| Mol Weight | 366.89 g/mol |
| Molecular Formula | C20H27ClO4 |
| Exact Mass | 366.159787 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4KK9e8fADHa |
|---|---|
| Name | Fumaric acid, 4-chlorobenzyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.159787045 u |
| Formula | C20H27ClO4 |
| InChI | InChI=1S/C20H27ClO4/c1-2-3-4-5-6-7-8-15-24-19(22)13-14-20(23)25-16-17-9-11-18(21)12-10-17/h9-14H,2-8,15-16H2,1H3/b14-13+ |
| InChIKey | GSSADWHMWXCKBX-BUHFOSPRSA-N |
| Molecular Weight | 366.885 g/mol |
| SMILES | C(CCOC(\C=C\C(OCC1=CC=C(C=C1)Cl)=O)=O)CCCCCC |