| SpectraBase Compound ID | 7c5fArs8kDE |
|---|---|
| InChI | InChI=1S/C20H29ClO4/c1-4-5-6-7-8-9-10-15-24-18(22)20(2,3)19(23)25-17-13-11-16(21)12-14-17/h11-14H,4-10,15H2,1-3H3 |
| InChIKey | JWSKFCXZQHLJBV-UHFFFAOYSA-N |
| Mol Weight | 368.9 g/mol |
| Molecular Formula | C20H29ClO4 |
| Exact Mass | 368.175437 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1I9KwFQQydK |
|---|---|
| Name | Dimethylmalonic acid, 4-chlorophenyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.175437110 u |
| Formula | C20H29ClO4 |
| InChI | InChI=1S/C20H29ClO4/c1-4-5-6-7-8-9-10-15-24-18(22)20(2,3)19(23)25-17-13-11-16(21)12-14-17/h11-14H,4-10,15H2,1-3H3 |
| InChIKey | JWSKFCXZQHLJBV-UHFFFAOYSA-N |
| Molecular Weight | 368.901 g/mol |
| SMILES | C1=C(C=CC(=C1)OC(=O)C(C)(C)C(OCCCCCCCCC)=O)Cl |