| SpectraBase Compound ID | Cbf3y3VZvgO |
|---|---|
| InChI | InChI=1S/C20H29ClO4/c1-3-4-5-6-7-8-9-14-24-19(22)12-13-20(23)25-18-15-16(2)10-11-17(18)21/h10-11,15H,3-9,12-14H2,1-2H3 |
| InChIKey | HYYNGRQDABSWFR-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 | KFf5VTBxpFu |
|---|---|
| Name | Succinic acid, 2-chloro-5-methylphenyl 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/c1-3-4-5-6-7-8-9-14-24-19(22)12-13-20(23)25-18-15-16(2)10-11-17(18)21/h10-11,15H,3-9,12-14H2,1-2H3 |
| InChIKey | HYYNGRQDABSWFR-UHFFFAOYSA-N |
| Molecular Weight | 368.901 g/mol |
| SMILES | C(OC=1C(=CC=C(C)C1)Cl)(CCC(OCCCCCCCCC)=O)=O |